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기본 정보
- CAS
59812-34-9- 표준 SMILES
COC(=O)c1sc2cc(C)ccc2c1Cl- InChIKey
MGACFENQJJMRFI-UHFFFAOYSA-N- 분자식
- C11H9ClO2S
- 평균 분자량
- 240.71 g/mol
- 단동위원소 질량
- 240.0011784
이름 및 식별자
- 우선 이름
- Methyl 3-chloro-6-methylbenzo(b)thiophene-2-carboxylate
- IUPAC
- methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
- 영어명
- METHYL 3-CHLORO-6-METHYLBENZO(B)THIOPHE&
- 분자식
- C11H9ClO2S
- 분자량
- 240.71
이름 및 동의어
Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylateMethyl 3-chloro-6-methylbenzo(b)thiophene-2-carboxylateRefChem:815407623-507-459812-34-9methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylateMFCD01630702DTXSID40400005Methyl 6-Methyl-3-Chlorobenzo[b]thiophene-2-CarboxylateVS-05384Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methyl-, methyl esterMethyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate, 97%
이름 더 보기
METHYL 3-CHLORO-6-METHYLBENZO(B)THIOPHE&methyl 3-chloro-6-methyl-benzothiophene-2-carboxylatebenzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methyl-, mMETHYL 3-CHLORO-6-METHYLBENZO(B)THIOPHE& ISO 9001：2015 REACH3-chloro-6-methyl-2-benzothiophenecarboxylic acid methyl ester3-chloro-6-methyl-benzothiophene-2-carboxylic acid methyl ester3-Chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid methyl ester
Methyl 3-chloro-6-metFT-0684395METHYL3-CHLORO-6-METHYLBENZO(B)THIOPHE&SCHEMBL5023563ALBB-012096BBL016581STK424639AKOS003236004
데이터베이스 식별자
- CAS
59812-34-9- PubChem CID
- 4154210
- DTXSID
DTXSID40400005- EC Number
- 623-507-4
물성
구조 계산 물성보충 중
- XLogP
- 4.1
- 극성 표면적
- 54.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 259
물리화학적 성질
- 녹는점
- 88 · 88-92 °C(lit.)
- 끓는 점
- 355.1 · 355.1±37.0 °C(Predicted)
- 밀도
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C11H9ClO2S/c1-6-3-4-7-8(5-6)15-10(9(7)12)11(13)14-2/h3-5H,1-2H3
- InChIKey
- MGACFENQJJMRFI-UHFFFAOYSA-N
- SMILES
- COC(=O)c1sc2cc(C)ccc2c1Cl
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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.；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.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (97.4%)；Aquatic Chronic 4 (100%)
안전 데이터
- wgk
- 3
- safety_code
- 22-24/25
- 위험 등급
- IRRITANT
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사18 곳
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Zhengzhou Lingzhiyue Technology Co., Ltd+86-0371-55074660 +86-13523716970 · [email protected]
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