ChemicalBook--->CAS DataBase List--->5372-81-6

5372-81-6

5372-81-6 Structure

5372-81-6 Structure
IdentificationMore
[Name]

Dimethyl aminoterephthalate
[CAS]

5372-81-6
[Synonyms]

2-AMINO TEREPHTHALIC ACID DIMETHYL ESTER
5-NITRO DIMETHYL ISOPHTHALATE
5-NITROISOPHTHALIC ACID DIMETHYL ESTER
AMINO TEREPHTHALATE DIMETHYL ESTER
AMINOTEREPHTHALIC ACID DIMETHYL ESTER
DIMETHYL 2-AMINOTEREPHTHALATE
DIMETHYL 5-NITROBENZENE-1,3-DICARBOXYLATE
DIMETHYL 5-NITROISOPHTHALATE
DIMETHYL AMINOTEREPHTHALATE
DIMETHYLNITROISOPHTHALATE-5
LABOTEST-BB LT00052809
NITROISOPHTHALIC-5 ACID DIMETHYL ESTER
TIMTEC-BB SBB000481
1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester
2-Amino-1,4-benzenedicarboxylic acid, dimethyl ester
3-Amino-4-methoxycarbonylbenzoic acid, methyl ester
4-benzenedicarboxylicacid,2-amino-dimethylester
Dimethyl 3-aminoterephthalate
Terephthalic acid, amino-, dimethyl ester
Dimethyl-5-Nitro-1,3-Benzenedicarboxylic
[EINECS(EC#)]

236-307-3
[Molecular Formula]

C10H11NO4
[MDL Number]

MFCD00008429
[Molecular Weight]

209.2
[MOL File]

5372-81-6.mol
Chemical PropertiesBack Directory
[Appearance]

slight yellow crystalline powder
[Melting point ]

127-130 °C (lit.)
[Boiling point ]

348.55°C (rough estimate)
[density ]

0.53 g/cm3 (23℃)
[vapor pressure ]

0.007Pa at 20℃
[refractive index ]

1.5400 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

0.04g/l insoluble
[form ]

Powder or Crystals
[pka]

1.26±0.10(Predicted)
[color ]

Beige or yellow to light green to brownish
[PH]

6.9 (10g/l, H2O, 20℃)
[Water Solubility ]

Insoluble in water.
[BRN ]

2808505
[Stability:]

Stable under recommended storage conditions., Stable Under Recommended Storage C
[InChI]

1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3
[InChIKey]

DSSKDXUDARIMTR-UHFFFAOYSA-N
[SMILES]

COC(=O)c1ccc(c(N)c1)C(=O)OC
[LogP]

2.32 at 23℃ and pH7
[CAS DataBase Reference]

5372-81-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Aminoterephthalic acid, dimethyl ester(5372-81-6)
[EPA Substance Registry System]

5372-81-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H411
[Precautionary statements ]

P273-P391-P501
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

2
[RTECS ]

CZ4340000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29224995
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

3,4-Dihydro-4-oxoquinazoline-7-carboxylic acid-->methyl 3,4-dihydro-4-oxoquinazoline-7-carboxylate-->2-hydroxyterephthalic acid-->Methyl5-oxo-3,5-dihydro-2H-oxazolo[2,3-b]quinazoline-8-carboxylate-->methyl 2-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxylate-->1,4-diMethyl 2-chloro-5-nitrobenzene-1,4-dicarboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dimethyl aminoterephthalate(5372-81-6).msds
Hazard InformationBack Directory
[Chemical Properties]

slight yellow crystalline powder
[Uses]

Dimethyl aminoterephthalate is used in the preparation of imidazotetrazinones as probes for the action of temozolomide. It is also used to prepare aminoquinazolines with neurokinin-2 receptor antagonist activity.
[General Description]

The tricarbonylchromium complex of dimethyl aminoterephthalate was prepared and studied.
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethyl aminoterephthalate(5372-81-6)MS
Dimethyl aminoterephthalate(5372-81-6)1HNMR
Dimethyl aminoterephthalate(5372-81-6)13CNMR
Dimethyl aminoterephthalate(5372-81-6)IR1
Dimethyl aminoterephthalate(5372-81-6)IR2
Dimethyl aminoterephthalate(5372-81-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dimethyl aminoterephthalate, 99%(5372-81-6)
[Alfa Aesar]

Dimethyl aminoterephthalate, 99%(5372-81-6)
[Sigma Aldrich]

5372-81-6(sigmaaldrich)
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