기본 정보
- CAS
52107-87-6- 표준 SMILES
Cc1cc(C(=O)O)ccc1I- InChIKey
DKMIWBBIVNNAMG-UHFFFAOYSA-N- 분자식
- C8H7IO2
- 평균 분자량
- 262.04 g/mol
- 단동위원소 질량
- 261.94908
이름 및 식별자
- 우선 이름
- 4-Iodo-3-methylbenzoic acid
- IUPAC
- 4-iodo-3-methylbenzoic acid
- 영어명
- 4-Iodo-3-methylbenzoic acid
- 분자식
- C8H7IO2
- 분자량
- 262.04
이름 및 동의어
4-Iodo-3-methylbenzoic acid52107-87-6DTXSID00363985RefChem:293536DTXCID10315031674-185-73-methyl-4-iodobenzoic acidMFCD00270113Benzoic acid,4-iodo-3-methyl-4-iodo-3-methyl-benzoic acid4-Iodo-3-MethylbenzoicAcidUDZ352HES3
이름 더 보기
4-IODO-M-TOLUIC ACIDSuvorexant Impurity 324-Iodo-3-methylbenzoicaci
SCHEMBL498268Benzoic acid, 4-iodo-3-methyl-DKMIWBBIVNNAMG-UHFFFAOYSA-NSBB064683AKOS000149475AC-7744FI70206FS-3947
데이터베이스 식별자
- CAS
52107-87-6- PubChem CID
- 1517322
- DTXSID
DTXSID00363985- UNII
- UDZ352HES3
- EC Number
- 674-185-7
- Nikkaji
- J1.663.145K
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 158
물리화학적 성질
- 녹는점
- 223 · 223-225°C
- 끓는 점
- 327.7 · 327.7±30.0 °C(Predicted)
- 밀도
- 1.867 · 1.867±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 4.09 · 4.09±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (66.7%)
안전 데이터
- HS 번호
- 2916399090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 위험 등급
- LIGHT SENSITIVE
화학 및 산업
상·하류 제품 정보
상류 원료
공급사74 곳
上海策嵘生物科技有限公司[email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
관련 반응
16건
화합물 노트
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