2-Chlorothiophene (HCID 7299)

Names & identifiers

Preferred name: 2-Chlorothiophene
IUPAC: 2-chlorothiophene
English name: 2-Chlorothiophene
Molecular formula: C4H3ClS
Molecular weight: 118.58

Names & synonyms

2-CHLOROTHIOPHENE96-43-52-Thienyl chlorideThiophene, 2-chloro-3EVV74IJN6NSC 8747NSC-8747EINECS 202-505-3DTXSID8059132RefChem:470540DTXCID9048982202-505-3

Show more names

orothiophene2-Chlorthiophen2-Chlorothiphene2-Chlrothiophene2-chloro-thiophenthiophene,2-chloro-

MFCD00005421Rivaroxaban Impurity 36chlorothiophene2-Thienyl chloride; Chlorothiophen2-Chlorothiophene; 2-Thienyl chloride; NSC 8747Thienyl chloride5-chlorothiopheneNSC8747

Database identifiers

CAS: 96-43-5
PubChem CID: 7299
DTXSID: DTXSID8059132
UNII: 3EVV74IJN6
EC Number: 202-505-3
Nikkaji: J48.865H

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 46.8

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

LogP2.54

Physicochemical properties

Melting point: -71.9 °C · -71.9 °C
Boiling point: 127 · 127-129 °C (lit.)
Density: 1.286 g/mL · 1.286 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.547(lit.)
Flash point: 73 °F · 73 °F
storage temp.: 2 · 2-8°C
solubility: soluble in Chloroform
form: Liquid
color: Clear colorless to light brown
Specific Gravity: 1.286 · 1.286
Water Solubility: INSOLUBLE
BRN: 104652 · 104652
Stability: Volatile
InChI: 1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChIKey: GSFNQBFZFXUTBN-UHFFFAOYSA-N
SMILES: Clc1cccs1
CAS DataBase Reference: 96 · 96-43-5(CAS DataBase Reference)
FDA UNII: 3 EVV74IJN6 · 3EVV74IJN6
NIST Chemistry Reference: 2 · Thiophene, 2-chloro-(96-43-5)
EPA Substance Registry System: 2 · Thiophene, 2-chloro- (96-43-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302-H226-H315-H319-H335-H225-H301-H311-H331
Precautionary statements: 301 · P301+P310a-P303+P361+P353-P405-P501a-P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F,T
Risk Statements: 10 · 10-36/37/38-23/24/25-37
Safety Statements: 16 · 16-26-36-45-38-36/37/39-28B-7/9
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
RTECS: 8575000 · XM8575000
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29349990 · 29349990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
REACH Registrations: Active
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

Danger

H225 (10.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Thiophene, 2-chloro-

Status: Active Update: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20026

Hazard Classes and CategoriesFlam. Liq. 2 (10.2%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: XM8575000
ridadr: UN 1993 3/PG 3
hs_code: 29349990
risk_code: 10-36/37/38-23/24/25-37
Signal word: Warning
Symbol(GHS): GHS02,GHS07,GHS06
hazard_code: Xi,F,T
hazard_note: Irritant
safety_code: 16-26-36-45-38-36/37/39-28B-7/9
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H302-H226-H315-H319-H335-H225-H301-H311-H331
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P310a-P303+P361+P353-P405-P501a-P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationThiophene, 2-chloro-: ACTIVE

Applications

Uses2-Chlorothiophene was used in the preparation of 5-phenylthiophene derivative.

General DescriptionThe photodissociation dynamics of 2-chlorothiophene was studied using resonance enhanced multiphoton ionization (REMPI) time-of-flight (TOF) technique.

Upstream & downstream products

Upstream raw materials

2,4-dichlorothiophene Thiophene(SIV) (9CI)2-Chloro-5-iodothiophene 3,4-Dichlorothiophene

Downstream products

2-CHLORO-3-NITROTHIOPHENE 5-CHLORO-4-NITROTHIOPHENE-2-SULFONYL CHLORIDE 5-Chlorothiophene-2-carboxylic acid 5-Chlorothiophene-2-sulfonamide 5-Chlorothiophene-2-sulfonyl chloride 2-Chloro-5-chloromethylthiophene 4-AMINO-5-CHLOROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER 2-ACETYL-5-CHLOROTHIOPHENE 5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID 2-Chloro-5-thiophenecarboxaldehyde (+/-)-4-AMINO-3-(5-CHLORO-2-THIENYL)-BUTANOIC ACID 5-Methylthiophene-2-carboxaldehyde

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

邹平创新药业有限公司13561560789 · [email protected]

西安久启生物科技有限公司18729366352 13186100227

Related reactions

60 records

New reaction record

HRID 302As reactant750 AstraZeneca ELN dataset

HRID 37331As reactantuspto-grants-1995_05

HRID 37332As reactantuspto-grants-1995_05

HRID 66478As reactantuspto-grants-1982_08

HRID 66501As reactantuspto-grants-1982_08

HRID 66524As reactantuspto-grants-1982_08

HRID 85803As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 151312As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information