Basic information
- CAS
7291-02-3- Standard SMILES
CN(C)C(=O)c1cccc([N+](=O)[O-])c1- InChIKey
DKWDGIRXGDSOST-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- N,N-dimethyl-3-nitrobenzamide
- IUPAC
- N,N-dimethyl-3-nitrobenzamide
- English name
- BenzaMide, N,N-diMethyl-3-nitro-
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
N,N-dimethyl-3-nitrobenzamide7291-02-3Benzamide, N,N-dimethyl-3-nitro-MFCD004662143-nitro-N,N-dimethylbenzamideN,N-DIMETHYL-3-NITRO-BENZAMIDENSC406602N,N-Dimethyl-m-nitrobenzamideSCHEMBL3347418SCHEMBL8640831SCHEMBL30568852DTXSID30324387
Show more names
DKWDGIRXGDSOST-UHFFFAOYSA-N3-NO2-C6H4CON(CH3)2STL071218AKOS000503439N,N-dimethyl(3-nitrophenyl)carboxamideNSC-406602AS-54798DA-03240
Database identifiers
- CAS
7291-02-3- PubChem CID
- 347759
- DTXSID
DTXSID30324387- EC Number
- 109-813-6
- Nikkaji
- J3.619.175I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 81 ° · 81°
- form
- solid
- InChI
- 1S/C9H10N2O3/c1-10(2)9(12)7-4-3-5-8(6-7)11(13)14/h3-6H,1-2H3
- InChIKey
- DKWDGIRXGDSOST-UHFFFAOYSA-N
- SMILES
- [O-][N+](C1=CC=CC(C(N(C)C)=O)=C1)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HS Code
- 2924297099 · 2924297099
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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