4-클로로티오펜-2-카복시산

4-Chlorothiophene-2-carboxylic acid

HCID 12290695

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59614-95-8
표준 SMILES: O=C(O)c1cc(Cl)cs1
InChIKey: JWQMRBBWZUKWFJ-UHFFFAOYSA-N
분자식: C5H3ClO2S
평균 분자량: 162.59 g/mol
단동위원소 질량: 161.9542282

이름 및 식별자

우선 이름: 4-Chlorothiophene-2-carboxylic acid
IUPAC: 4-chlorothiophene-2-carboxylic acid
현지명: 4-클로로티오펜-2-카복시산
영어명: 4-CHLOROTHIOPHENE-2-CARBOXYLIC ACID
분자식: C5H3ClO2S
분자량: 162.59

이름 및 동의어

4-Chlorothiophene-2-carboxylic acid59614-95-8RefChem:522100807-632-34-chloro-2-thiophenecarboxylic acidMFCD000828762-Thiophenecarboxylic acid, 4-chloro-721450-30-24-chloro-thiophene-2-carboxylic acid4-CHLOROTHIOPHENE-2-CARBOXYLICACID4-Chlorothiophene-2- carboxylic acid2-Carboxy-4-chlorothiophene

이름 더 보기

4-클로로티오펜-2-카복시산4-chlorothiene-2-carboxylic acid4-chloro-2-thionylcarboxylic acid

SCHEMBL78812159T73WM4VYJWQMRBBWZUKWFJ-UHFFFAOYSA-NJCA614954-Chloro-2-thiophene Carboxylic AcidAKOS006272687PB25964PS-4978

데이터베이스 식별자

CAS: 59614-95-8
PubChem CID: 12290695
UNII: 59T73WM4VY
EC Number: 807-632-3

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 128

물리화학적 성질

녹는점: 131 · 131-132 °C(Solv: methanol (67-56-1))
끓는 점: 298 · 298.0±20.0 °C(Predicted)
밀도: 1.572 · 1.572±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.5 · 3.50±0.10(Predicted)
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.