2-Chloropentane
Basic information
- CAS
625-29-6- Standard SMILES
CCCC(C)Cl- InChIKey
NFRKUDYZEVQXTE-UHFFFAOYSA-N- Molecular formula
- C5H11Cl
- Average molar mass
- 106.59 g/mol
- Monoisotopic mass
- 106.054928
Names & identifiers
- Preferred name
- 2-Chloropentane
- IUPAC
- 2-chloropentane
- English name
- 2-CHLOROPENTANE
- Molecular formula
- C5H11Cl
- Molecular weight
- 106.59
Names & synonyms
2-CHLOROPENTANEPentane, 2-chloro-sec-Amyl chlorideNSC 7899EINECS 210-885-7DTXSID90870714Pentane, 2chloro1Methylbutyl chlorideRefChem:86519DTXCID50818410210-885-7NFRKUDYZEVQXTE-UHFFFAOYSA-N
Show more names
2-Chlorpentan2-chloro-pentanpentane,2-chloro-(2RS)-chloropentane2-CHLOROPENTANE ISO 9001：2015 REACH
625-29-61-Methylbutyl chloride2-chloro-pentaneNSC-7899NSC78992-Chloropentane, 95%2ESE4BEL55SCHEMBL42743
Database identifiers
- CAS
625-29-6- PubChem CID
- 12245
- DTXSID
DTXSID90870714- UNII
- 2ESE4BEL55
- EC Number
- 210-885-7
- Nikkaji
- J6.859D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 27.1
Experimental & physicochemical properties
SolventsSolvents -> Chlorinated Aliphatics
SpringerMaterials PropertiesBoiling point
Vapor Pressure48.7 [mmHg]
Physicochemical properties
- Melting point
- -137 °C · -137°C
- Boiling point
- 94 · 94-95 °C/747 mmHg (lit.)
- Density
- 0.87 g/mL · 0.87 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.407(lit.)
- Flash point
- 33 °F · 33 °F
- Henry's Law Constant
- 6.7 · 6.7×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- 1S/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
- InChIKey
- NFRKUDYZEVQXTE-UHFFFAOYSA-N
- SMILES
- CCCC(C)Cl
- EPA Substance Registry System
- 2 · 2-Chloropentane (625-29-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332
- Precautionary statements
- 210 · P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi,Xn
- Risk Statements
- 11 · 11-36/37/38-20/21/22
- Safety Statements
- 16 · 16-26-36-29-9
- RIDADR
- 1107 · UN 1107 3/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
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 (100%): 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
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See n-Butyl chloride.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1107 3/PG 2
- risk_code
- 11-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi,Xn
- safety_code
- 16-26-36-29-9
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
- Precautionary statements
- P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentane, 2-chloro-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
Loading…