Basic information
- CAS
37107-50-9- Standard SMILES
N#CC(C(=O)O)=C1CCCCC1- InChIKey
KMAMEGWTNNOKOE-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Cyanocyclohexylideneacetic acid
- IUPAC
- 2-cyano-2-cyclohexylideneacetic acid
- English name
- Cyclohexylidenecyanoacetic acid
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Cyanocyclohexylideneacetic acidEINECS 253-351-9DTXSID70190604NSC 124616RefChem:580146DTXCID70113095253-351-92-cyano-2-cyclohexylideneacetic acid37107-50-9Cyclohexylidenecyanoacetic acidMFCD00013799Cyano(cyclohexylidene)acetic acid
Show more names
LABOTEST-BB LT004549062-cyano-2-cyclohexylideneaceticaciCyclohexylidenecyanoaceticacid,97%Acetic acid, 2-cyano-2-cyclohexylidene-
cyclohexylidene cyanoacetic acidCyclohexyliidenecyanoacetic acidSCHEMBL4545218Acetic acid, cyanocyclohexylidene-Cyano(cyclohexylidene)acetic acid #STR05034AC1586NSC124616
Database identifiers
- CAS
37107-50-9- PubChem CID
- 97457
- DTXSID
DTXSID70190604- EC Number
- 253-351-9
- Nikkaji
- J89.149E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 107 · 107-109°C
- BRN
- 1950877 · 1950877
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2926907090 · 2926907090
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 (100%): 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers26 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [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]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
Related reactions
2 records
Compound notes
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