3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOIC ACID

Modify Date: 2025-08-25 10:10:30

3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOIC ACID Structure
3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOIC ACID structure
Common Name 3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOIC ACID
CAS Number 92109-03-0 Molecular Weight 264.27700
Density 1.296g/cm3 Boiling Point 462ºC at 760mmHg
Molecular Formula C13H16N2O4 Melting Point N/A
MSDS N/A Flash Point 233.2ºC

 Names

Name 4-(azepan-1-yl)-3-nitrobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.296g/cm3
Boiling Point 462ºC at 760mmHg
Molecular Formula C13H16N2O4
Molecular Weight 264.27700
Flash Point 233.2ºC
Exact Mass 264.11100
PSA 86.36000
LogP 3.26160
Index of Refraction 1.593
InChIKey NLOLIKPXLGXANL-UHFFFAOYSA-N
SMILES O=C(O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2916399090

 Synthetic Route

~%

3-NITRO-4-(HEXAMETHYLENEIMIN-1-YL)BENZOIC ACID Structure

3-NITRO-4-(HEXA...

CAS#:92109-03-0

Literature: MERCK SERONO S.A. Patent: WO2009/43890 A1, 2009 ; Location in patent: Page/Page column 58-59 ; WO 2009/043890 A1

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-Hexamethylenimino-3-nitro-benzoesaeure
4-Azepan-1-yl-3-nitro-benzoic acid
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