Basic information
- CAS
621-52-3- Standard SMILES
CCOc1cccc([N+](=O)[O-])c1- InChIKey
LFOLBPDHVGDKGJ-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 3-Nitrophenetole
- IUPAC
- 1-ethoxy-3-nitrobenzene
- English name
- 3-NITROPHENETOLE
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
3-Nitrophenetole1-Ethoxy-3-nitrobenzene621-52-3m-NitrophenetolePhenetole, m-nitro-Benzene, 1-ethoxy-3-nitro-NSC 5405EINECS 210-691-2CCRIS 23323-ETHOXYNITROBENZENEWJ7G97VX6GAI3-15391
Show more names
AI315391AI3 153913-Nitrophenetole>Phenetole, m-nitro-3-NITROPHENETOLE 99+%1-Nitro-3-ethoxybenzene
ETHYL 3-NITROPHENYL ETHERNSC-5405DTXSID40211153RefChem:504500Phenetole, m-nitro-(8CI)DTXCID40133644210-691-2MFCD00024472
Database identifiers
- CAS
621-52-3- PubChem CID
- 69308
- DTXSID
DTXSID40211153- UNII
- WJ7G97VX6G
- EC Number
- 210-691-2
- Nikkaji
- J95.074B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 36 °C · 36°C
- Boiling point
- 275.73 °C · 275.73°C (estimate)
- Density
- 1.182 · 1.1820 (estimate)
- refractive index
- 1.5475 · 1.5475 (estimate)
- Flash point
- 31 °C · 31 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- FreezingPoint
- 29 to · 29.0 to 33.0 ℃
- CAS DataBase Reference
- 621 · 621-52-3
- FDA UNII
- 7 G97VX6G · WJ7G97VX6G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Peroxide Forming Chemical
m-Nitrophenetole
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers53 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…