Basic information
- CAS
3316-24-3- Standard SMILES
COc1ccccc1/C=C/[N+](=O)[O-]- InChIKey
FVKSRNVYJXQCLK-VOTSOKGWSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-beta-nitrostyrene
- IUPAC
- 1-methoxy-2-[(E)-2-nitroethenyl]benzene
- English name
- 1-(2-Methoxyphenyl)-2-nitroethene
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
3316-24-32-methoxy-beta-nitrostyreneDTXSID301312936RefChem:474515DTXCID3017427731-Methoxy-2-(2-nitrovinyl)benzene1-(2-Methoxyphenyl)-2-nitroethene1-Methoxy-2-(2-nitroethenyl)benzene1-Methoxy-2-[(E)-2-nitroethenyl]benzene1-methoxy-2-[(e)-2-nitrovinyl]benzene2-(2-Nitrovinyl)anisoleNSC 59450
Show more names
3-Methoxy-4-nitro-1H-pyrazoleAKOS BBS-000067822-Methoxy--nitrostyrene2-METHOXY-B-NITROSTYRENEo-Methoxy-b-nitrostyreneHknLAHAAbTyImYeUMi```AFP2-Methoxy-β-nitrostyrene
MFCD00070647NSC 170699(E)-1-methoxy-2-(2-nitrovinyl)benzene21298-69-1Benzene, 1-methoxy-2-(2-nitroethenyl)-2-Methoxy-ss-nitrostyreneAnisole, o-(2-nitrovinyl)-methyl 2-[(E)-2-nitrovinyl]phenyl ether
Database identifiers
- CAS
3316-24-3- PubChem CID
- 710669
- ChEMBL
CHEMBL388939- EC Number
- 625-216-8
- Nikkaji
- J711.678K、J717.919G
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 198
Physicochemical properties
- Melting point
- 46 · 46-50 °C(lit.)
- Boiling point
- 311.69 °C · 311.69°C (rough estimate)
- Density
- 1.2822 · 1.2822 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep Cold
- form
- solid
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
- InChIKey
- FVKSRNVYJXQCLK-VOTSOKGWSA-N
- SMILES
- [H]\C(=C(\[H])[N+]([O-])=O)c1ccccc1OC
- CAS DataBase Reference
- 3316 · 3316-24-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 · Benzene, 1-methoxy-2-(2-nitroethenyl)-(3316-24-3)
- UNSPSC Code
- 12352100 · 12352100
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DA5341500
- hs_code
- 2921490090
- Toxicity
- LD50 orl-mus: 1059 mg/kg AECTCV 14,111,1985
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37
- hazard_class
- IRRITANT, KEEP COLD
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Applications
Uses3-Methoxy-4-nitro-1H-pyrazole is used as a reagent in the preparation of pyridine compounds which act as focal adhesion kinase inhibitors and therefore me be useful in treatment of diseases such as cancer in warm-blooded animals. 3-Methoxy-4-nitro-1H-pyrazole is also used as a reagent in the synthesis of purine derivatives which may act as inhibitors of mutant EGF receptors.
Suppliers32 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海珂华生物科技有限公司
Related reactions
1 records
Compound notes
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