Basic information
- CAS
3179-10-0- Standard SMILES
COc1ccc(C=C[N+](=O)[O-])cc1- InChIKey
JKQUXSHVQGBODD-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
Overview
has vasodilator activity; structure in first source
Names & identifiers
- Preferred name
- 4-Methoxy-beta-nitrostyrene
- IUPAC
- 1-methoxy-4-(2-nitroethenyl)benzene
- English name
- 1-(4-Methoxyphenyl)-2-nitroethylene
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
T4MeN compoundT4MN compoundRefChem:912640667-607-64-Methoxy-beta-nitrostyreneBenzene, 1-methoxy-4-(2-nitroethenyl)-1-methoxy-4-(2-nitro-vinyl)-benzene4-methoxy-B-nitrostyrenep-Methoxynitrostyrolp-methoxy nitrostyrenep-methoxy-beta-nitrostyreneSCHEMBL491095
Show more names
AKOS BBS-000066182'-Nitro vinyl anisole-(2-Nitrovinyl)anisole-Methoxy-w-nitrostyrene-Methoxy-b-nitrostyrenep-Methoxy-β-nitrostyrene4-METHOXY-W-NITROSTYRENEnisole, p-(2-nitrovinyl)-4-METHOXY-OMEGA-NITROSTYRENE
JKQUXSHVQGBODD-UHFFFAOYSA-NAKOS017268777UPCMLD0ENAT0400-1442:001DB-120369F980262
Database identifiers
- CAS
3179-10-0- PubChem CID
- 229843
- EC Number
- 667-607-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 86 · 86-88 °C(lit.)
- storage temp.
- Keep Cold
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- Light Yellow to Yellow
- CAS DataBase Reference
- 3179 · 3179-10-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · 4-Methoxy-«beta»-nitrostyrene(3179-10-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT, KEEP COLD
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.4%): 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 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT, KEEP COLD
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Additional notes
DefinitionChEBI: 1-(4-Methoxyphenyl)-2-nitroethylene is a member of methoxybenzenes.
Related reactions
26 records
Compound notes
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