Basic information
- CAS
119205-37-7- Standard SMILES
N#CC1=C(Cl)CCCC1- InChIKey
AFMPUGDGNQTHOQ-UHFFFAOYSA-N- Molecular formula
- C7H8ClN
- Average molar mass
- 141.6 g/mol
- Monoisotopic mass
- 141.034527
Names & identifiers
- Preferred name
- 2-Chlorocyclohex-1-ene-1-carbonitrile
- IUPAC
- 2-chlorocyclohexene-1-carbonitrile
- English name
- 2-chlorocyclohex-1-enecarbonitrile
- Molecular formula
- C7H8ClN
- Molecular weight
- 141.6
Names & synonyms
2-chlorocyclohex-1-ene-1-carbonitrile119205-37-7RefChem:470405996-254-32-Chlorocyclohex-1-enecarbonitrile2-chlorocyclohexene-1-carbonitrileMFCD11502628SCHEMBL119984AFMPUGDGNQTHOQ-UHFFFAOYSA-NUEA205372-Chloro-cyclohex-1-enecarbonitrile2-chloro-1-cyclohexene-1-carbonitrile
Show more names
1-Cyclohexene-1-carbonitrile, 2-chloro-
AKOS026727969AS-37225CS-0217780EN300-84516F539298Z1251189979
Database identifiers
- CAS
119205-37-7- PubChem CID
- 49840939
- EC Number
- 996-254-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 184
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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
16 records
Compound notes
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