Basic information
- CAS
616-20-6- Standard SMILES
CCC(Cl)CC- InChIKey
CXQSCYIVCSCSES-UHFFFAOYSA-N- Molecular formula
- C5H11Cl
- Average molar mass
- 106.59 g/mol
- Monoisotopic mass
- 106.054928
Names & identifiers
- Preferred name
- 3-Chloropentane
- IUPAC
- 3-chloropentane
- English name
- 3-Chloropentane
- Molecular formula
- C5H11Cl
- Molecular weight
- 106.59
Names & synonyms
3-CHLOROPENTANEPentane, 3-chloro-1-Ethylpropyl chlorideEINECS 210-467-4DTXSID3060661RefChem:93523DTXCID8043078210-467-4CXQSCYIVCSCSES-UHFFFAOYSA-NInChI=1/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H616-20-63-Chloro-pentane
Show more names
3-chloro-pentanpentane,3-chloro-1-ethylpropylchloride
SCHEMBL83190SCHEMBL83191CHEMBL18780SCHEMBL235333SCHEMBL611506SCHEMBL6978018AKOS009235751BP-10944
Database identifiers
- CAS
616-20-6- PubChem CID
- 12016
- DTXSID
DTXSID3060661- ChEMBL
CHEMBL18780- EC Number
- 210-467-4
- Nikkaji
- J95.695C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -105 °C · -105°C
- Boiling point
- 97.55 °C · 97.55°C
- Density
- 0.8854 · 0.8854
- refractive index
- 1.4059 · 1.4059
- Henry's Law Constant
- 3.8 · 3.8×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- EPA Substance Registry System
- 3 · Pentane, 3-chloro- (616-20-6)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 312 · H312-H332-H302-H225
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- TSCA
- TSCA listed
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
H225: Highly Flammable liquid and vapor [Danger 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)
Danger
H225: Highly Flammable liquid and vapor [Danger 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)
Hazard information
Hazard Classes and Categories
Flammable liquid - category 2
Flam. Liq. 2
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H312-H332-H302-H225
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentane, 3-chloro-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers8 total
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海巨启化学科技有限公司+86-021-34943721; +86-18616806816 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…