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4-Nitrophenyl isocyanate

CAS No.
100-28-7
Chemical Name:
4-Nitrophenyl isocyanate
Synonyms
ai3-28253;4-Nitrophenyl;TIMTEC-BB SBB006628;4-Nitrophenyl isocya;4-Nitrophenylcarbimide;4-NITROPHENYL ISOCYANATE;P-NITROPHENYL ISOCYANATE;4-Isocyanatonitrobenzene;PARA-NITROPHENYLISOCYANATE;1-isocyanato-4-nitro-benzen
CBNumber:
CB1757004
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.12
MDL Number:
MFCD00007306
MOL File:
100-28-7.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-04-24 14:59:15
Product description Number Pack Size Price
4-Nitrophenyl isocyanate 97% 269425 5g $47.2
4-Nitrophenyl isocyanate 97% 269425 25g $183
4-Nitrophenyl Isocyanate (contains varying amounts of polymers) >98.0%(GC) I0129 5g $83
4-Nitrophenyl Isocyanate (contains varying amounts of polymers) >98.0%(GC) I0129 25g $240
4-​NitrophenylIsocyanate(1-Isocyanato-4-nitrobenzene) I798270 25g $725

4-Nitrophenyl isocyanate Properties

Melting point 56-59 °C(lit.)
Boiling point 137-138 °C11 mm Hg(lit.)
Density 1.5018 (rough estimate)
refractive index 1.5300 (estimate)
Flash point >110°C
storage temp. 2-8°C
solubility soluble in Benzene,Toluene
form Crystalline Solid
color Yellow
Water Solubility Insoluble in water.
Sensitive Moisture Sensitive
BRN 389516
InChI 1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
InChIKey GFNKTLQTQSALEJ-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(cc1)N=C=O
CAS DataBase Reference 100-28-7(CAS DataBase Reference)
FDA UNII L4X2CUC34D
NIST Chemistry Reference Benzene, 1-isocyanato-4-nitro-(100-28-7)
EPA Substance Registry System p-Nitrophenyl isocyanate (100-28-7)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS07,GHS08
Signal word  Danger
Hazard statements  H302+H332-H315-H317-H319-H334-H335
Precautionary statements  P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38-42
Safety Statements  22-26-36/37/39-45
RIDADR  2206
WGK Germany  3
RTECS  DA3692500
10-19-21
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
HS Code  29291090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Toxicity LD50 orl-rat: 1600 mg/kg NTIS** OTS0528342
Limited Quantities 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704
1
2 1

4-Nitrophenyl isocyanate price More Price(11)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 269425 4-Nitrophenyl isocyanate 97% 100-28-7 5g $47.2 2023-06-20 Buy
Sigma-Aldrich 269425 4-Nitrophenyl isocyanate 97% 100-28-7 25g $183 2023-06-20 Buy
TCI Chemical I0129 4-Nitrophenyl Isocyanate (contains varying amounts of polymers) >98.0%(GC) 100-28-7 5g $83 2026-03-19 Buy
TCI Chemical I0129 4-Nitrophenyl Isocyanate (contains varying amounts of polymers) >98.0%(GC) 100-28-7 25g $240 2026-03-19 Buy
TRC I798270 4-​NitrophenylIsocyanate(1-Isocyanato-4-nitrobenzene) 100-28-7 25g $725 2021-12-16 Buy
Product number Packaging Price Buy
269425 5g $47.2 Buy
269425 25g $183 Buy
I0129 5g $83 Buy
I0129 25g $240 Buy
I798270 25g $725 Buy

4-Nitrophenyl isocyanate Chemical Properties,Uses,Production

Chemical Properties

yellow crystalline solid

Uses

4-Nitrophenyl isocyanate is used as pharmaceutical intermediates. 4-Nitrophenyl isocyanate was used in the synthesis of 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide.

Safety Profile

A poison by intraperitoneal route.Moderately toxic by ingestion. When heated todecomposition it emits toxic vapors of NOx.

Purification Methods

Distil the isocyanate in a vacuum, and/or recrystallise it from pet ether (b 28-38o), *C6H6/pet ether (m 58o) or CCl4 (m 56-57o). [Beilstein 12 H 725, 12 III 1630.]

32315-10-9
100-01-6
100-28-7
Synthesis of 4-Nitrophenyl isocyanate from Triphosgene and 4-Nitroaniline

4-Nitrophenyl isocyanate Preparation Products And Raw materials

Raw materials

Preparation Products

4-Nitrophenyl isocyanate Suppliers

Global( 9)Suppliers
Supplier Tel Email Country ProdList Advantage
Fuxin Pharmaceutical
+86-021-021-50872116 +8613122107989 contact@fuxinpharm.com China 10000 58
SUZHOU SENFEIDA CHEMICAL CO.,LTD
+86-0512-83500002 +8618662433356 3899766280@qq.com China 26362 58
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.
+8618950047208 ellena@amitychem.com China 43416 58
Hangzhou J&H Chemical Co., Ltd. 0571-87396432 sales@jhechem.com China 14917 59
Shanghai Baoyang Baoxin Biotechnology Co., LTD 021-56698539 19921169802 bxsw_sh@163.com China 3917 58
Merck KGaA 21-20338288 ordercn@merckgroup.com China 6394 58
Biosynth Biological Technology (Suzhou) Co Ltd 51288865780 sales@biosynth.com China 6051 58
Santa Cruz Biotechnology Inc 021-60936350 scbt@scbt.com China 6594 58
Wuxi Bozhiyi Chemical Co., Ltd. 15370417879、13665137979 dndwvf@163.com CHINA 93 58
1-isocyanato-4-nitro-benzen ai3-28253 benzene,1-isocyanato-4-nitro- Isocyanic acid, p-nitrophenyl ester (contains varying aMounts of polyMers) 4-Nitrophenyl Isocyanate  4-Nitrophenyl isocyanate, 98% 25GR 4-Nitrophenyl isocyanate, 98% 5GR 4-Nitrophenyl isocya 4-Nitrophenyl isocyanate 97% 4-Nitrophenylisocyanate,97% Isocyanic acid, p-nitrophenyl ester (8CI) 4-Nitrophenyl isocyanate≥ 99% (GC) isocyanicacid,p-nitrophenylester 4-NITROPHENYL ISOCYANATE P-NITROPHENYL ISOCYANATE TIMTEC-BB SBB006628 ISOCYANIC ACID 4-NITROPHENYL ESTER 4-Nitrophenylcarbimide 1-ISOCYANATO-4-NITRO-BENZENE 4-Nitrophenyl PARA-NITROPHENYLISOCYANATE 4-Isocyanatonitrobenzene 4-Nitrophenyl Isocyanate (contains varying amounts of polymers) 4-Nitrophenyl isocyanate,98% 4-NitrophenylIsocyanate(containsvaryingamountsofpolymers)> 4-?Nitrophenyl Isocyanate (1-Isocyanato-4-nitrobenzene) 4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-80-THIOSEMICARBAZIDE 100-28-7 O2NC6H4NCO Organic Building Blocks Nitrogen Compounds ARYL ISOCYANATE Building Blocks Isocyanates Isocyanates Phenyls & Phenyl-Het Phenyls & Phenyl-Het Nitrogen Compounds Organic Building Blocks Carbohydrates & Derivatives