1-Chloro-4-methylpentane
Basic information
- CAS
62016-94-8- Standard SMILES
CC(C)CCCCl- InChIKey
QUKRJOOWAUJXJN-UHFFFAOYSA-N- Molecular formula
- C6H13Cl
- Average molar mass
- 120.62 g/mol
- Monoisotopic mass
- 120.0705781
Names & identifiers
- Preferred name
- 1-Chloro-4-methylpentane
- IUPAC
- 1-chloro-4-methylpentane
- English name
- 1-Chloro-4-methylpentane
- Molecular formula
- C6H13Cl
- Molecular weight
- 120.62
Names & synonyms
1-Chloro-4-methylpentane62016-94-8DTXSID30977554RefChem:431423DTXCID001404900848-651-7Pentane, 1-chloro-4-methylMFCD000453041-chloro-4-methyl-pentaneSCHEMBL896440SCHEMBL3914184SCHEMBL6550956
Show more names
Pentane, 1-chloro-4-methyl-
SCHEMBL7873137SCHEMBL8096963SCHEMBL9314142AKOS009157487DA-29542EN300-126003G22062
Database identifiers
- CAS
62016-94-8- PubChem CID
- 523764
- DTXSID
DTXSID30977554- EC Number
- 848-651-7
- Nikkaji
- J578.938I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 33.2
Physicochemical properties
- Melting point
- -35.1 °C · -35.1°C (estimate)
- Boiling point
- 123 °C · 123 °C
- Density
- 0.87 · 0.8700
- refractive index
- 1.42 · 1.4200
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302-H312-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- HS Code
- 2914199090 · 2914199090
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2914199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H226-H302-H312-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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