기본 정보
- 표준 SMILES
COC(=O)c1ccsc1- InChIKey
ZTRAEMILTFNZSM-UHFFFAOYSA-N- 분자식
- C6H6O2S
- 평균 분자량
- 142.18 g/mol
- 단동위원소 질량
- 142.00885043
이름 및 식별자
- 우선 이름
- Methyl 3-thiophenecarboxylate
- IUPAC
- methyl thiophene-3-carboxylate
- 영어명
- Methyl 3-thiophenecarboxylate 97
- 분자식
- C6H6O2S
- 분자량
- 142.18
이름 및 동의어
Methyl 3-thiophenecarboxylate22913-26-43-Thiophenecarboxylic acid, methyl esterDTXSID20341583RefChem:815645DTXCID40292664628-219-2methyl thiophene-3-carboxylateMFCD06203810THIOPHENE-3-CARBOXYLIC ACID METHYL ESTERMethyl 3-thiophenecarboxylate, 97%GEO-04563
이름 더 보기
THOO1Methyl 3-thiophenecarboxylate 97Methyl Thiophene-3-carboxylate >Thiophene-3-carboxylic acid methyl ester3- thiophene carboxylic acidMethyl esterMETHYL 3-THIOPHENECARBOXYLATE 97 ISO 9001：2015 REACH
3-thiophene carboxylic acid methyl esterSY019965EN300-901703-methoxycarbonylthiophenemethyl-3-thenoateFT-06596123-methoxy carbonyl-thiopheneA816420
데이터베이스 식별자
- CAS
22913-26-4- PubChem CID
- 574151
- DTXSID
DTXSID20341583- EC Number
- 628-219-2
- Nikkaji
- J1.396.171I
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 54.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 114
물리화학적 성질
- 끓는 점
- 98 °C/10 · 98 °C/10 mmHg (lit.)
- 밀도
- 1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5380(lit.)
- 인화점
- 172 °F · 172 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- InChI
- 1S/C6H6O2S/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
- InChIKey
- ZTRAEMILTFNZSM-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccsc1
화학적 성질
Colorless to yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, 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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 2
- ridadr
- NA 1993 / PGIII
- HS 번호
- 29349990
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
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