3-Amino-4-methyl-5-nitrobenzoic acid
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Basic information
- CAS
54591-62-7- Standard SMILES
Cc1c(N)cc(C(=O)O)cc1[N+](=O)[O-]- InChIKey
LHZXZCIDEFEXPM-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- 3-Amino-4-methyl-5-nitrobenzoic acid
- IUPAC
- 3-amino-4-methyl-5-nitrobenzoic acid
- English name
- Benzoic acid, 3-aMino-4-Methyl-5-nitro-
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
3-amino-4-methyl-5-nitrobenzoic acid54591-62-7DTXSID20332592RefChem:276492DTXCID10283685826-010-23-Amino-4-methyl-5-nitro-benzoic acidMFCD00456404Benzoic acid, 3-amino-4-methyl-5-nitro-5-amino-4-methyl-3-nitrobenzoic acidCambridge id 5110311Oprea1_476501
Show more names
3-Amino-4-Methyl-5-Nitro-Benzoic Acid(WX612012)
CBDivE_013174SCHEMBL29029733-Amino-5-nitro-p-toluic acidLHZXZCIDEFEXPM-UHFFFAOYSA-NALBB-036655ECA591623-amino-4-methyl-5-nitrobenzoicacidSBB013137
Database identifiers
- CAS
54591-62-7- PubChem CID
- 459004
- DTXSID
DTXSID20332592- EC Number
- 826-010-2
- Nikkaji
- J36.401K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H303-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H303-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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