Basic information
- CAS
1519-55-7- Standard SMILES
COc1ccc(/C=C(/C#N)C(=O)O)cc1- InChIKey
KMHNRJDDHTZZDZ-TWGQIWQCSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 2-Cyano-3-(4-methoxyphenyl)prop-2-enoic acid
- IUPAC
- (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
- English name
- alpha-Cyano-4-methoxycinnamic acid
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
2-cyano-3-(4-methoxyphenyl)prop-2-enoic acidRefChem:470618621-129-41089301-34-7(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid(2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid2-cyano-3-(4-methoxyphenyl)acrylic acidSCHEMBL4968638AKOS003617955MS-3283NCGC00663524-01EN300-00022
Show more names
Nsc31629LABOTEST-BB LT00455210α-cyano-4-methoxycinnamic acidà-cyano-4-methoxycinnamic acida-Cyano-4-methoxycinnamic acidα-Cyano-p-methoxycinnamic Acidα-CYANO-4-METHOXYCINNAMIC ACIDalpha-Cyano-4-methoxycinnamic acid-alpha-Cyano-4-methoxycinnamic acid4-METHOXYBENZYLIDENECYANOACETIC ACID
SR-01000308738(2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoicacidSR-01000308738-1Z44303404
Database identifiers
- CAS
1519-55-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 230 · 230-234 °C(lit.)
- Boiling point
- 392.832 · 392.832±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.799 · 0.799±0.10(predicted)
- form
- solid
- BRN
- 2110241 · 2110241
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers16 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津康利欣科技有限公司18622939839 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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