Basic information
- CAS
63649-64-9- Standard SMILES
CC(C)c1ccc(N)c([N+](=O)[O-])c1- InChIKey
SBXKBHDWJBOCIG-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 4-Isopropyl-2-nitroaniline
- IUPAC
- 2-nitro-4-propan-2-ylaniline
- English name
- 4-Isopropyl-2-nitroaniline
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
4-Isopropyl-2-nitroaniline63649-64-9DTXSID10371536RefChem:293626DTXCID803225702-nitro-4-propan-2-ylanilineMFCD000929202-nitro-4-(propan-2-yl)anilineBenzenamine, 4-(1-methylethyl)-2-nitro-Nitrocumidin4-isopropyl-2-nitro-anilineSCHEMBL978898
Show more names
2-Nitro-4-(prop-2-yl)aniline, 4-Amino-3-nitrocumene
BUTTPARK 89\07-12SBXKBHDWJBOCIG-UHFFFAOYSA-N4-(methylethyl)-2-nitrophenylamineSBB089678AKOS016007617PS-3173SY101515DB-006851
Database identifiers
- CAS
63649-64-9- PubChem CID
- 2736696
- DTXSID
DTXSID10371536- Nikkaji
- J3.442.617A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 36 · 36-39
- Boiling point
- 142 · 142-144/0.4mm
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 0.4 · 0.40±0.10(Predicted)
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Toxic
- HS Code
- 2921420090 · 2921420090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers32 total
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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
3 records
Compound notes
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