3-Chloropropanethiol (HCID 87134)

Names & identifiers

Preferred name: 3-Chloropropanethiol
IUPAC: 3-chloropropane-1-thiol
English name: 3-CHLORO-1-PROPANETHIOL
Molecular formula: C3H7ClS
Molecular weight: 110.61

Names & synonyms

3-Chloropropanethiol1-Propanethiol, 3-chloro-EINECS 241-496-0DTXSID20169901NSC 646363Chloro1propanethiolRefChem:500517DTXCID8092392UN3336241-496-03-Chloro-1-propanethiol17481-19-5

Show more names

3-Chloro-1-propanethiol 98%

3-chloropropane-1-thiol1-Propanethiol, 3-chloro- (8CI,9CI)3-chloropropan-1-thiolMFCD00004902NSC-64636NSC646363-chloro-1 propanethiolN6Q6DV6SQL

Database identifiers

CAS: 17481-19-5
PubChem CID: 87134
DTXSID: DTXSID20169901
UNII: N6Q6DV6SQL
EC Number: 241-496-0
Nikkaji: J287.063K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 5
Formal charge: 0
Complexity: 16.4

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Thiols

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point: 145.5 °C · 145.5 °C (lit.)
Density: 1.136 g/mL · 1.136 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4921(lit.)
Flash point: 110 °F · 110 °F
pka: 10.04 · 10.04±0.10(Predicted)
form: liquid
InChI: 1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2
InChIKey: TZCFWOHAWRIQGF-UHFFFAOYSA-N
SMILES: SCCCCl
FDA UNII: 6 Q6DV6SQL · N6Q6DV6SQL
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 3336 · UN 3336 3/PG 2
WGK Germany: 3 · 3
HazardClass: 3.2 · 3.2
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1-Propanethiol, 3-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 1-Propanethiol.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxicology

Adverse EffectsOther Poison - Chemical Asphyxiant

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3336 3/PG 2
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesSolution-Phase Hybrid Passivation: 3-Chloro-1-propanethiolis used in the passivation of quantum dots to enhance the performance of infrared-band gap quantum dot solar cells, suggesting significant improvements in efficiency and stability (Mahajan et al., 2020).