Chemical Safety Data Sheet MSDS / SDS

1H-BENZ[E]INDOLIUM, 2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-1,1,3-TRIMETHYL-2H-BENZ[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,1,3-TRIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)

Revision Date:2026-03-20Revision Number:1

SECTION 1: Identification of the substance/mixture and of the company/undertaking

Product identifier

Product name: 1H-BENZ[E]INDOLIUM, 2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-1,1,3-TRIMETHYL-2H-BENZ[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,1,3-TRIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)
CBnumber: CB0244947
CAS: 134127-48-3
EINECS Number: 420-680-6
Synonyms: IR-813 p-Toluenesulfonate;IR 813

Relevant identified uses of the substance or mixture and uses advised against

Relevant identified uses: For R&D use only. Not for medicinal, household or other use.
Uses advised against: none

Company Identification

Company: Chemicalbook
Address: Building 1, Huihuang International, Shangdi 10th Street, Haidian District, Beijing
Telephone: 010-86108875

SECTION 2: Hazards identification

GHS Label elements, including precautionary statements

Symbol(GHS)

Signal wordWarning

Precautionary statements

P501 Dispose of contents/container to..…

P363 Wash contaminated clothing before reuse.

P321 Specific treatment (see … on this label).

P333+P313 IF SKIN irritation or rash occurs: Get medical advice/attention.

P302+P352 IF ON SKIN: wash with plenty of soap and water.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P272 Contaminated work clothing should not be allowed out of the workplace.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P501 Dispose of contents/container to..…

P330 Rinse mouth.

P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P270 Do not eat, drink or smoke when using this product.

P264 Wash skin thouroughly after handling.

P501 Dispose of contents/container to..…

P314 Get medical advice/attention if you feel unwell.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Hazard statements

H373 May cause damage to organs through prolonged or repeated exposure

H317 May cause an allergic skin reaction

H413 May cause long lasting harmful effects to aquatic life

H302 Harmful if swallowed

SECTION 3: Composition/information on ingredients

Substance

Product name: 1H-BENZ[E]INDOLIUM, 2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-1,1,3-TRIMETHYL-2H-BENZ[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,1,3-TRIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)
Synonyms: IR-813 p-Toluenesulfonate;IR 813
CAS: 134127-48-3
EC number: 420-680-6
MF: C47H47ClN2O3S
MW: 755.41

SECTION 4: First aid measures

4.1 Description of first aid measures

Eye contact

Remove any contact lenses, locate eye-wash station, and flush eyes immediately with large amounts of water. Separate eyelids with fingers to ensure adequate flushing. Promptly call a physician.

Skin contact

Rinse skin thoroughly with large amounts of water. Remove contaminated clothing and shoes and call a physician.

Inhalation

Immediately relocate self or casualty to fresh air. If breathing is difficult, give cardiopulmonary resuscitation (CPR). Avoid mouth- to-mouth resuscitation.

Ingestion

Wash out mouth with water; Do NOT induce vomiting; call a physician.

4.2 Most important symptoms and effects, both acute and delayed

The most important known symptoms and effects are described in the labelling (see section 2).

4.3 Indication of any immediate medical attention and special treatment needed

Treat symptomatically.

SECTION 5: Firefighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, dry chemical, foam, and carbon dioxide fire extinguisher.

5.2 Special hazards arising from the substance or mixture

During combustion, may emit irritant fumes.

5.3 Advice for firefighters

Wear self-contained breathing apparatus and protective clothing.

SECTION 6: Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use full personal protective equipment. Avoid breathing vapors, mist, dust or gas. Ensure adequate ventilation. Evacuate personnel to safe areas.
Refer to protective measures listed in sections 8.

6.2 Environmental precautions

Try to prevent further leakage or spillage. Keep the product away from drains or water courses.

6.3 Methods and materials for containment and cleaning up

Absorb solutions with finely-powdered liquid-binding material (diatomite, universal binders); Decontaminate surfaces and equipment by scrubbing with alcohol; Dispose of contaminated material according to Section 13.

6.4 Reference to other sections

For disposal see section 13.

SECTION 7: Handling and storage

7.1 Precautions for safe handling

Avoid inhalation, contact with eyes and skin. Avoid dust and aerosol formation. Use only in areas with appropriate exhaust ventilation.

7.2 Conditions for safe storage, including any incompatibilities

Keep container tightly sealed in cool, well-ventilated area. Keep away from direct sunlight and sources of ignition.

Recommended storage temperature

4°C, sealed storage, away from moisture and light * In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
Shipping at room temperature if less than 2 weeks.

7.3 Specific end use(s)

No data available.

SECTION 8: Exposure controls/personal protection

8.1 Control parameters

Components with workplace control parameters

This product contains no substances with occupational exposure limit values.

8.2 Exposure controls

Engineering controls

Ensure adequate ventilation. Provide accessible safety shower and eye wash station.

Personal protective equipment

Eye protection

Safety goggles with side-shields.

Hand protection

Protective gloves.

Skin and body protection

Impervious clothing.

Respiratory protection

Suitable respirator.

Environmental exposure controls

Keep the product away from drains, water courses or the soil. Clean spillages in a safe way as soon as possible.

SECTION 9: Physical and chemical properties

Information on basic physicochemical properties

AppearanceSolid
OdorNo data available
Odor thresholdNo data available
pHNo data available
Melting/freezing pointNo data available
Boiling point/rangeNo data available
Flash pointNo data available
Evaporation rateNo data available
Flammability (solid, gas)No data available
Upper/lower flammability or explosive limitsNo data available
Vapor pressure0.054Pa
Vapor densityNo data available
Relative densityNo data available
Water Solubility30μg/L at 20℃
Partition coefficientNo data available
Auto-ignition temperatureNo data available
Decomposition temperatureNo data available
ViscosityNo data available
Explosive propertiesNo data available
Oxidizing propertiesNo data available
Physical stateSolid
ColourLight brown to brown

9.2 Other safety information

No data available.

SECTION 10: Stability and reactivity

10.1 Reactivity

No data available.

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

No data available.

10.4 Conditions to avoid

No data available.

10.5 Incompatible materials

Strong acids/alkalis, strong oxidising/reducing agents.

10.6 Hazardous decomposition products

Under fire conditions, may decompose and emit toxic fumes.
Other decomposition products - no data available.

SECTION 11: Toxicological information

IARC

No component of this product present at a level equal to or greater than 0.1% is identified as probable, possible or confirmed human carcinogen by IARC.

ACGIH

No component of this product present at a level equal to or greater than 0.1% is identified as a potential or confirmed carcinogen by ACGIH.

NTP

No component of this product present at a level equal to or greater than 0.1% is identified as a anticipated or confirmed carcinogen by NTP.

OSHA

No component of this product present at a level equal to or greater than 0.1% is identified as a potential or confirmed carcinogen by OSHA.

Reproductive toxicity

Classified based on available data. For more details, see section 2

Specific target organ toxicity - single exposure

Classified based on available data. For more details, see section 2

Specific target organ toxicity - repeated exposure

Classified based on available data. For more details, see section 2

Aspiration hazard

Classified based on available data. For more details, see section 2

Additional information

This information is based on our current knowledge. However the chemical, physical, and toxicological properties have not been completely investigated.

SECTION 12: Ecological information

12.1 Toxicity

No data available.

12.2 Persistence and degradability

No data available.

12.3 Bioaccumlative potential

No data available.

12.4 Mobility in soil

No data available.

12.5 Results of PBT and vPvB assessment

PBT/vPvB assessment unavailable as chemical safety assessment not required or not conducted.

12.6 Other adverse effects

No data available.

SECTION 13: Disposal considerations

13.1 Waste treatment methods

Product

Dispose substance in accordance with prevailing country, federal, state and local regulations.

Contaminated packaging

Conduct recycling or disposal in accordance with prevailing country, federal, state and local regulations.

SECTION 14: Transport information

DOT (US)

Proper shipping name

Not dangerous goods

UN number

Class

Packing group

IMDG

Proper shipping name

Not dangerous goods

UN number

Class

Packing group

IATA

Proper shipping name

Not dangerous goods

UN number

Class

Packing group

SECTION 15: Regulatory information

SARA 302 Components

No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302.

SARA 313 Components

This material does not contain any chemical components with known CAS numbers that exceed the threshold (De Minimis) reporting levels established by SARA Title III, Section 313.

SARA 311/312 Hazards

No SARA Hazards.

Massachusetts Right To Know Components

No components are subject to the Massachusetts Right to Know Act.

Pennsylvania Right To Know Components

No components are subject to the Pennsylvania Right to Know Act.

New Jersey Right To Know Components

No components are subject to the New Jersey Right to Know Act.

California Prop. 65 Components

This product does not contain any chemicals known to State of California to cause cancer, birth defects, or anyother reproductive harm.

SECTION 16: Other information

Abbreviations and acronyms

CAS: Chemical Abstracts Service
TWA: Time-Weighted Average
STEL: Short-Term Exposure Limit
LD50: Lethal Dose 50%
LC50: Lethal Concentration 50%
EC50: Effective Concentration 50%
PEL: Permissible Exposure Limit
TLV: Threshold Limit Value
IMDG: International Maritime Dangerous Goods Code
IATA: International Air Transport Association
ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
DOT: US Department of Transportation
NFPA: National Fire Protection Association
NIOSH: National Institute for Occupational Safety and Health
OSHA: Occupational Safety and Health Administration

Disclaimer:

The information in this MSDS is only applicable to the specified product, unless otherwise specified, it is not applicable to the mixture of this product and other substances. This MSDS only provides information on the safety of the product for those who have received the appropriate professional training for the user of the product. Users of this MSDS must make independent judgments on the applicability of this SDS. The authors of this MSDS will not be held responsible for any harm caused by the use of this MSDS.