Basic information
- CAS
619-26-1- Standard SMILES
CNc1cccc([N+](=O)[O-])c1- InChIKey
IKSRCCUOUJJGAU-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- N-Methyl-3-nitroaniline
- IUPAC
- N-methyl-3-nitroaniline
- English name
- N-methyl-3-nitro-aniline
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
n-methyl-3-nitroaniline619-26-1NSC-1137ST77A3GW6UDTXSID50277205RefChem:1091890DTXCID00228363624-695-03-Nitro-N-methylanilineN-Methyl-3-nitro-anilineN-METHYL-M-NITROANILINEBenzenamine, N-methyl-3-nitro-
Show more names
N-methyl-3-nitro-aniline (Related Reference)
MFCD00963641m-Nitro-N-methylaniline3-Nitro-N-methylaniline 97%NSC1137N-Methyl-3-nitrobenzenamineAniline, N-methyl-m-nitro-SCHEMBL732435orb3181521
Database identifiers
- CAS
619-26-1- PubChem CID
- 219622
- DTXSID
DTXSID50277205- UNII
- ST77A3GW6U
- EC Number
- 624-695-0
- Nikkaji
- J95.055F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesLuminescence
Physicochemical properties
- Melting point
- 64 · 64-68 °C
- Boiling point
- 274.7 · 274.7±23.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.32 · 3.32±0.25(Predicted)
- form
- Powder
- color
- White to brown
- λmax
- 395 nm · 395nm(lit.)
- InChI
- 1S/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5,8H,1H3
- InChIKey
- IKSRCCUOUJJGAU-UHFFFAOYSA-N
- SMILES
- CNc1cccc(c1)[N+]([O-])=O
- CAS DataBase Reference
- 619 · 619-26-1
- FDA UNII
- 77 A3GW6U · ST77A3GW6U
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, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2921490090
- risk_code
- 22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280-P261-P280g-P301+P312a-P321-P333+P313-P501a
Chemistry & industry
Suppliers57 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
2 records
Compound notes
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