Basic information
- CAS
3572-44-9- Standard SMILES
Cc1c(N)cc([N+](=O)[O-])cc1C(N)=O- InChIKey
RBLRQBGOUCRKRT-UHFFFAOYSA-N- Molecular formula
- C8H9N3O3
- Average molar mass
- 195.18 g/mol
- Monoisotopic mass
- 195.06439116
Names & identifiers
- Preferred name
- 3-Amino-2-methyl-5-nitrobenzamide
- IUPAC
- 3-amino-2-methyl-5-nitrobenzamide
- English name
- 2-Methyl-3-amino-5-nitrobenzamide
- Molecular formula
- C8H9N3O3
- Molecular weight
- 195.18
Names & synonyms
3-Amino-2-methyl-5-nitrobenzamide3572-44-93-Amino-5-nitro-o-toluamideBenzamide, 3-amino-2-methyl-5-nitro-KA9YLT68HARefChem:198225Benzamide, 3-amino-2-methyl-5-nitro-(9CI)684-517-2Anot3-ANOTo-TOLUAMIDE, 3-AMINO-5-NITRO-2-Methyl-3-amino-5-nitrobenzamide
Show more names
3-ANOT (Standard)3-Amino-2-methyl-5-nitrobenzamide 100 μg/ml Methanol
UNII-KA9YLT68HABRN 2114950ANOT [MI]3-Amino-5-nitro-o-toluamidSCHEMBL377142CHEMBL510184orb1690582orb3026032
Database identifiers
- CAS
3572-44-9- PubChem CID
- 19141
- DTXSID
DTXSID00189243- ChEMBL
CHEMBL510184- UNII
- KA9YLT68HA
- EC Number
- 684-517-2
- Nikkaji
- J15.123H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 198.5 · 198.5-199.5°
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- color
- Dark Yellow to Dark Orange
- BRN
- 2114950 · 2114950
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- 1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)
- InChIKey
- RBLRQBGOUCRKRT-UHFFFAOYSA-N
- SMILES
- Cc1c(N)cc(cc1C(N)=O)[N+]([O-])=O
- FDA UNII
- 9 YLT68HA · KA9YLT68HA
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- XS3600000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Amino-5-nitro-o-toluamide is a metabolite of the veterinary drug zoalene.
Suppliers9 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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