Basic information
- CAS
51529-96-5- Standard SMILES
CCc1ccc(N)cc1[N+](=O)[O-]- InChIKey
OUVUXCBBKYHSLC-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
Names & identifiers
- Preferred name
- 4-Ethyl-3-nitroaniline
- IUPAC
- 4-ethyl-3-nitroaniline
- English name
- 4-ETHYL-3-NITROANILINE
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
4-ethyl-3-nitroaniline51529-96-5MFCD099714524-Ethyl-3-nitroaniline 4-ethyl-3-nitroaniline4-ethyl-3-nitro-aniline4-ethyl-3-nitro-phenylamineSCHEMBL358991SCHEMBL2688564SCHEMBL3721040OUVUXCBBKYHSLC-UHFFFAOYSA-NBCA52996AKOS009175274
Show more names
3-Nitro-4-ethylaniline4-ethyl-3-nitrobenzeneamineBenzenamine, 4-ethyl-3-nitro-
DS-9813DA-39431SY114922CS-0043819EN300-31301F17457F462024Z321031686
Database identifiers
- CAS
51529-96-5- PubChem CID
- 22708680
- EC Number
- 191-607-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 44 · 44-45 °C
- Boiling point
- 305.7 · 305.7±22.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.9 · 2.90±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽合诺生物科技有限公司18455579438
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
上海正夏医药科技有限公司13585673075
苏州美石生物科技有限公司1173954148q · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
Related reactions
26 records
Compound notes
Loading…