Basic information
- CAS
10439-77-7- Standard SMILES
CNc1ccc([N+](=O)[O-])cc1C- InChIKey
NJYYBTRBCMPYCJ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- N,2-dimethyl-4-nitrobenzenamine
- IUPAC
- N,2-dimethyl-4-nitroaniline
- English name
- N-Methyl-4-nitro-o-toluidine
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
10439-77-7N-Methyl-4-nitro-o-toluidineN,2-DIMETHYL-4-NITROBENZENAMINEDTXSID80146455RefChem:821480DTXCID5068946678-612-8N,2-Dimethyl-4-nitroanilineMFCD00059083Benzenamine,N,2-dimethyl-4-nitro-SCHEMBL5177187N,2-dimethyl-4-nitro-benzenamine
Show more names
MethylnitrotoluidineN-Methyl-4-nitro-O-toludine2,N-Dimethyl-4-nitroanilineN-Methyl-4-nitro-o-toluidine>N,2-Dimethyl-4-nitrobenzeneamineBenzenamine, N,2-dimethyl-4-nitro-n-methyl-4-nitro-o-toluidine(nh2=1)
CS-0187551EN300-12320732-(Methylamino)-5-nitrotolueneN,2-Dimethyl-4-nitroaniline; 2-(Methylamino)-5-nitrotolueneN,2-dimethyl-4-nitro-anilineMethyl-(2-methyl-4-nitrophenyl)amineFT-0636706Methylnitrotoluidine; 97%
Database identifiers
- CAS
10439-77-7- PubChem CID
- 25282
- DTXSID
DTXSID80146455- EC Number
- 678-612-8
- Nikkaji
- J208.753G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 310.3 · 310.3±30.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- very faint turbidity in hot Methanol
- form
- powder to crystal
- pka
- 0.51 · 0.51±0.12(Predicted)
- color
- Light yellow to Yellow to Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2921490090 · 2921490090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers38 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海珂华生物科技有限公司
Related reactions
1 records
Compound notes
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