Basic information
- CAS
1011-92-3- Standard SMILES
N#C/C(=C\c1ccccc1)C(=O)O- InChIKey
CDUQMGQIHYISOP-RMKNXTFCSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767847
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- alpha-Cyanocinnamate
- IUPAC
- (E)-2-cyano-3-phenylprop-2-enoic acid
- English name
- alpha-Cyanocinnamic acid
- Molecular formula
- C10H7NO2
- Molecular weight
- 173.17
Names & synonyms
alpha-Cyanocinnamate(E)-2-cyano-3-phenylprop-2-enoic acidRefChem:555474alpha-Cyanocinnamic acid2-Cyano-3-phenylacrylic Acid1011-92-32-Propenoic acid, 2-cyano-3-phenyl-14378-06-4(E)-2-Cyano-3-phenylacrylic acid2-cyano-3-phenylprop-2-enoic acid(2E)-2-cyano-3-phenylprop-2-enoic acid(2E)-2-cyano-3-phenylacrylic acid
Show more names
AURORA KA-3649AKOS BBS-00007761α-CyanocinnamicAciA-CYANOCINNAMIC ACID2-CYANOCINNAMIC ACIDà-cyanocinnamic acidα-Cyanocinnamic acid?-cyanocinnamic acid
MFCD000168132-propenoic acid, 2-cyano-3-phenyl-, (2E)-(2Z)-2-CYANO-3-PHENYLPROP-2-ENOIC ACIDalpha-CCN-NSC 298EINECS 213-788-8NSC-298Cinnamic acid, alpha-cyano-
Database identifiers
- CAS
1011-92-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 181 °C · 181°C
- Boiling point
- 337.9 · 337.9±30.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 0.6 · 0.60±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 2329199 · 2329199
- CAS DataBase Reference
- 1011 · 1011-92-3(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-cyano-3-phenyl- (1011-92-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501-P280a-P304+P340-P305+P351+P338-P405-P501a
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
Danger
H301 (86.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (86.4%)
Safety data
- rtecs
- GD8562500
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers55 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific
Related reactions
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Compound notes
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