기본 정보
- CAS
128733-85-7- 표준 SMILES
COc1ccc(C(C)(C)C)cc1B(O)O- InChIKey
LXFOJKCQSAYVMF-UHFFFAOYSA-N- 분자식
- C11H17BO3
- 평균 분자량
- 208.06 g/mol
- 단동위원소 질량
- 208.1270746
이름 및 식별자
- 우선 이름
- 5-(tert-Butyl)-2-methoxybenzeneboronic acid
- IUPAC
- (5-tert-butyl-2-methoxyphenyl)boronic acid
- 현지명
- 5-TERT-부틸-2-메톡시벤젠보론산
- 영어명
- 5-TERT-BUTYL-2-METHOXYBENZENEBORONIC ACID
- 분자식
- C11H17BO3
- 분자량
- 208.06
이름 및 동의어
5-(tert-Butyl)-2-methoxybenzeneboronic acidRefChem:531650681-187-1128733-85-7(5-(tert-Butyl)-2-methoxyphenyl)boronic acid5-tert-butyl-2-methoxyphenylboronic acid(5-tert-butyl-2-methoxyphenyl)boronic acid5-t-Butyl-2-methoxyphenylboronic acid5-TERT-BUTYL-2-METHOXYBENZENEBORONIC ACIDMFCD06201034Boronic acid, B-[5-(1,1-dimethylethyl)-2-methoxyphenyl]-DTXSID20563485
이름 더 보기
5-TERT-부틸-2-메톡시벤젠보론산(5-(tert-Butyl)2-Borono-4-(tert-butyl)anisole
AKOS015837818AB2AM90038SCHEMBL1506563LXFOJKCQSAYVMF-UHFFFAOYSA-NAB23099BS-20621DA-37006
데이터베이스 식별자
- CAS
128733-85-7- PubChem CID
- 14740579
- DTXSID
DTXSID20563485- EC Number
- 681-187-1
- Nikkaji
- J2.042.080D
물성
구조 계산 물성
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 200
물리화학적 성질
- 녹는점
- 103 · 103-106°C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- solid
- BRN
- 4181890 · 4181890
- InChI
- 1S/C11H17BO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7,13-14H,1-4H3
- InChIKey
- LXFOJKCQSAYVMF-UHFFFAOYSA-N
- SMILES
- OB(O)C1=C(OC)C=CC(C(C)(C)C)=C1
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 6 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 CategoriesAcute Tox. 4 (16.7%)；Acute Tox. 4 (16.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (16.7%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2931900090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
상류 원료
공급사54 곳
郑州海阔光电材料有限公司67759225 13526468238 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
郑州海阔光电材料有限公司+86-371-55919009 +8615225108189 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
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