3-Amino-2-nitrobenzoic acid

HCID 3603687
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Basic information

CAS
116465-92-0
Standard SMILES
Nc1cccc(C(=O)O)c1[N+](=O)[O-]
InChIKey
FGMRHNYMZYMARX-UHFFFAOYSA-N
Molecular formula
C7H6N2O4
Average molar mass
182.13 g/mol
Monoisotopic mass
182.03275667

Names & identifiers

Preferred name
3-Amino-2-nitrobenzoic acid
IUPAC
3-amino-2-nitrobenzoic acid
English name
2-NITRO-3-AMINOBENZOIC ACID
Molecular formula
C7H6N2O4
Molecular weight
182.13

Names & synonyms

3-amino-2-nitrobenzoic acid116465-92-02-Nitro-3-aminobenzoic acid3-Amino-2-nitro-benzoic acidBenzoic acid, aminonitro-aminonitrobenzoic acidMFCD00033889Benzoic acid, 3-amino-2-nitro-2-Nitro-3-aminobenzoicacid3-amino-2-nitro benzoic acidOprea1_451037SCHEMBL91305
Show more names
SCHEMBL8576744DTXSID60922072SBB014574STK673181AKOS001717700SB30960NCGC00323903-0185715-99-7

Database identifiers

CAS
116465-92-0
PubChem CID
3603687
DTXSID
DTXSID60922072
EC Number
808-825-5
Nikkaji
J36.336G

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
430.2 · 430.2±35.0 °C(Predicted)
Density
1.568 · 1.568±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
2.35 · 2.35±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers29 total

无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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