Basic information
- Standard SMILES
ClCC1CCC(CCl)CC1- InChIKey
VUBDYLKZHRQEBS-UHFFFAOYSA-N- Molecular formula
- C8H14Cl2
- Average molar mass
- 181.1 g/mol
- Monoisotopic mass
- 180.04725581
Names & identifiers
- Preferred name
- Cyclohexane, 1,4-bis(chloromethyl)-
- IUPAC
- 1,4-bis(chloromethyl)cyclohexane
- English name
- 1,4-Bis(chloromethyl)cyclohexane
- Molecular formula
- C8H14Cl2
- Molecular weight
- 181.1
Names & synonyms
1,4-bis(chloromethyl)cyclohexaneCyclohexane, 1,4-bis(chloromethyl)-NSC 83569DTXSID8061181RefChem:580424DTXCID7048299875-476-3824-93-1NSC83569SCHEMBL1977510SCHEMBL6520283SCHEMBL10907448
Show more names
SCHEMBL24197651Cyclohexane,4-bis(chloromethyl)-NSC-83569AKOS006286888EN300-182749G36387
Database identifiers
- CAS
824-93-1- PubChem CID
- 69992
- DTXSID
DTXSID8061181- EC Number
- 875-476-3
- Nikkaji
- J421.535D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.3
Physicochemical properties
- Boiling point
- 240.9 · 240.9±13.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Cyclohexane, 1,4-bis(chloromethyl)- (824-93-1)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 412 · H412-H335-H302-H314
- Precautionary statements
- 273 · P273-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H412-H335-H302-H314
- Precautionary statements
- P273-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexane, 1,4-bis(chloromethyl)-: ACTIVE
Suppliers1 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
Related reactions
1 records
Linked notes
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