3-Chlorothiophene

HCID 87017CAS 17249-80-8

기본 정보

표준 SMILES: Clc1ccsc1
InChIKey: QUBJDMPBDURTJT-UHFFFAOYSA-N
분자식: C4H3ClS
평균 분자량: 118.59 g/mol
단동위원소 질량: 117.96439878

이름 및 식별자

우선 이름: 3-Chlorothiophene
IUPAC: 3-chlorothiophene
영어명: 3-Chlorothiophene
분자식: C4H3ClS
분자량: 118.58

이름 및 동의어

3-ChlorothiopheneRefChem:500545605-636-817249-80-8Thiophene, 3-chloro-3-Thienyl ChlorideMFCD000438873-chloro-thiophene3-Chlorothiophene, 98%SCHEMBL4123SCHEMBL4205SCHEMBL153082

이름 더 보기

3-Chlorothiophene >3-Chlorothiophene 98%3-Chlorothiophene,98%3-Chlorothiophene, 98% 5GR3-CHLOROTHIOPHENE ISO 9001：2015 REACH3-Chlorothiophene,98%,maycontainupto2%DMF3-Chlorothiophene, 98%, May contain up to 2% DiMethyl forMaMide

SCHEMBL268092SCHEMBL349986orb3030124DTXSID20169325Fr14320STR01650AKOS006220722AC-4914

데이터베이스 식별자

CAS: 17249-80-8
PubChem CID: 87017
DTXSID: DTXSID20169325
EC Number: 605-636-8
Nikkaji: J149.960B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 46.8

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

물리화학적 성질

녹는점: -62 °C · -62 °C
끓는 점: 137 · 137-139 °C(lit.)
밀도: 1.276 g/mL · 1.276 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.553(lit.)
인화점: 99 °F · 99 °F
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
물리적 상태: 액체
Specific Gravity: 1.276 · 1.276
색상: 무색투명~연황색
BRN: 105255 · 105255
InChI: InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
InChIKey: QUBJDMPBDURTJT-UHFFFAOYSA-N
SMILES: C1SC=CC=1Cl

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: -
ridadr: UN 1993 3/PG 3
HS 번호: 29339900
risk_code: 61-10-36-36/37/38-41-37/38-22
hazard_code: T,F,Xi
safety_code: 53-16-26-45-36-7/9-37/39-39
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Repr. 1BSkin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도3-Chlorothiophene was used in the synthesis of poly(3-chlorothiophene) films by direct oxidation in mixed electrolytes of boron trifluoride diethyl etherate and trifluroacetic acid.

일반 설명Electrochemical homopolymerization of 3-chlorothiophene and copolymerization with 3-methylthiophene in ionic liquid has been investigated by potentiodynamic and galvanostat methods.