7,7-Dichlorobicyclo[4.1.0]heptane
Basic information
- CAS
823-69-8- Standard SMILES
ClC1(Cl)C2CCCCC21- InChIKey
MBPSCGRETWPLSI-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2
- Average molar mass
- 165.06 g/mol
- Monoisotopic mass
- 164.0159557
Names & identifiers
- Preferred name
- 7,7-Dichlorobicyclo[4.1.0]heptane
- IUPAC
- 7,7-dichlorobicyclo[4.1.0]heptane
- English name
- 7,7-Dichlorodicyclo[4.1.0]heptane
- Molecular formula
- C7H10Cl2
- Molecular weight
- 165.06
Names & synonyms
7,7-Dichlorobicyclo[4.1.0]heptane823-69-8DTXSID902883157,7-DICHLOROBICYCLO(4.1.0)HEPTANERefChem:544726DTXCID30239462804-596-07,7-DichloronorcaraneMFCD00466186Norcarane, 7,7-dichloro-7,7-dichloro-bicyclo[4.1.0]heptaneBicyclo[4.1.0]heptane, 7,7-dichloro-
Show more names
NSC 552617,7-Dichlorodicyclo[4.1.0]heptane1,2-Dichloromethylene cyclohexane7,7-Dichlorobicyclo[4.1.0]heptane>(1R,6S)-7,7-DICHLOROBICYCLO[4.1.0]HEPTANE1,1-dichlorohexahydrocyclopropa[1,2-a][6]annulene
SCHEMBL138530Bicyclo[4.1.0]heptane,7-dichloro-NSC-55261AS-61339BICYCLO(4.1.0)HEPTANE, 7,7-DICHLORO-NSC55261Norcarane,7-dichloro-FT-0765556
Database identifiers
- CAS
823-69-8- PubChem CID
- 244375
- DTXSID
DTXSID90288315- UNII
- L45C7KHF4X
- EC Number
- 804-596-0
- Nikkaji
- J101.533H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 103 · 103-103.5℃ (15 Torr)
- Density
- 1.208 g/mL · 1.208 g/mL at 25 °C
- refractive index
- 1.5041 · 1.5041 (589.3 nm 20℃)
- Flash point
- 82 ℃ · 82℃
- storage temp.
- RT, sealed storage, away from moisture and light
- form
- clear liquid
- color
- Colorless to Light yellow
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C7H10Cl2/c8-7(9)5-3-1-2-4-6(5)7/h5-6H,1-4H2
- InChIKey
- MBPSCGRETWPLSI-UHFFFAOYSA-N
- SMILES
- ClC1(Cl)C2CCCCC12
- UNSPSC Code
- 12352100 · 12352100
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 2903.89.2000
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H319-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2
- Precautionary statements
- P273-P301+P312+P330-P305+P351+P338
Related reactions
3 records
Compound notes
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