Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
HQVWYUZVGLAMBS-HWKANZROSA-N- Molecular formula
- C10H8ClNO4
- Average molar mass
- 241.63 g/mol
Names & identifiers
- Preferred name
- methyl (2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
- IUPAC
- methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
- English name
- (E)-Methyl 3-(4-chloro-3-nitrophenyl)acrylate
- Molecular formula
- C10H8ClNO4
- Molecular weight
- 241.63
Names & synonyms
877065-30-0Methyl (2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoateRefChem:811967960-659-3methyl (2E)-3-(4-chloro-3-nitrophenyl)acrylateMethyl 3-(4-chloro-3-nitrophenyl)acrylate20884-03-1methyl 3-(4-chloro-3-nitrophenyl)prop-2-enoate(E)-methyl 3-(4-chloro-3-nitrophenyl)acrylate2-Propenoic acid, 3-(4-chloro-3-nitrophenyl)-, methyl ester, (2E)-methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoatemethyl (e)-3-(4-chloro-3-nitrophenyl)acrylate
Show more names
3-(4-Chloro-3-nitro-phenyl)-acrylic acid methyl esterMethyl (E)-3-(4-chloro-3-nitrophenyl)acrylate, Methyl (2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
4-Chloro-3-nitrocinnamic Acid Methyl EsterSCHEMBL832780HQVWYUZVGLAMBS-HWKANZROSA-NBBL034424MFCD09971347STL387029AKOS017259615methyl trans-4-chloro-3-nitrocinnamate
Database identifiers
- CAS
877065-30-0- PubChem CID
- 28818827
- EC Number
- 960-659-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 104 · 104-107°C
- Boiling point
- 370.205 · 370.205±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2916140090 · 2916140090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916140090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海智乾生物科技有限公司[email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海远祚医药科技有限公司021-31775309; 15221510662 · [email protected]
Related reactions
2 records
Linked notes
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