Basic information
- CAS
51163-24-7- Standard SMILES
O=C=NCC1CCCCC1- InChIKey
DUDXQIXWPJMPRQ-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- (Isocyanatomethyl)cyclohexane
- IUPAC
- isocyanatomethylcyclohexane
- English name
- CYCLOHEXANEMETHYL ISOCYANATE 97
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
(isocyanatomethyl)cyclohexaneRefChem:406554625-973-4Cyclohexanemethyl isocyanate51163-24-7IsocyanatomethylcyclohexaneMFCD03701631DTXSID70392262Cyclohexane, (isocyanatomethyl)-cyclohexylmethylisocyanatecyclohexylmethyl isocyanateisocyanatomethyl-cyclohexane
Show more names
CYCLOHEXANEMETHYL ISOCYANATE 97Cyclohexanemethyl isocyanate 97%
SCHEMBL268784SCHEMBL27548359SCHEMBL27589912DUDXQIXWPJMPRQ-UHFFFAOYSA-NCyclohexanemethyl isocyanate, 97%BCA16324AKOS010078731SY283059
Database identifiers
- CAS
51163-24-7- PubChem CID
- 3414518
- DTXSID
DTXSID70392262- EC Number
- 625-973-4
- Nikkaji
- J2.765.994B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 193 · 193-194 °C (lit.)
- Density
- 0.974 g/mL · 0.974 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4610(lit.)
- Flash point
- 169 °F · 169 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2
- InChIKey
- DUDXQIXWPJMPRQ-UHFFFAOYSA-N
- SMILES
- O=C=NCC1CCCCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H315-H317-H319-H334-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 20/21/22-36/37/38-42
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 23-26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H317-H319-H334-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Aladdin Scientific[email protected]
重庆卡兰医药有限公司[email protected]
河南科弘生物科技有限公司0371-55969461 19139748274 · [email protected]
Related reactions
16 records
Compound notes
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