기본 정보
- CAS
913835-26-4- 표준 SMILES
Cl.N#Cc1cc(N)cc(B(O)O)c1- InChIKey
DBXOAJZFPXYVHT-UHFFFAOYSA-N- 분자식
- C7H8BClN2O2
- 평균 분자량
- 198.42 g/mol
- 단동위원소 질량
- 198.0367354
이름 및 식별자
- 우선 이름
- 3-Amino-5-cyanobenzeneboronic acid hydrochloride
- IUPAC
- (3-amino-5-cyanophenyl)boronic acid;hydrochloride
- 현지명
- 3-아미노-5-시아노벤젠붕소산염산염97
- 영어명
- 3-Amino-5-cyanobenzeneboronic acid hydrochloride 97
- 분자식
- C6H5BrN2O2
- 분자량
- 198.4162
이름 및 동의어
3-Amino-5-cyanobenzeneboronic acid hydrochlorideRefChem:497386801-136-0913835-26-43-amino-5-cyanophenylboronic acid hydrochloride(3-amino-5-cyanophenyl)boronic acid hydrochlorideC7H8BClN2O2(3-amino-5-cyanophenyl)boronic acid;hydrochloride3-Amino-5-cyanophenylboronic acid, HClSCHEMBL1822353DTXSID30657162DBXOAJZFPXYVHT-UHFFFAOYSA-N
이름 더 보기
3-아미노-5-시아노벤젠붕소산염산염973-Amino-5-cyanobenzeneboronic3-Amino-5-cyanobenzeneboronic acid hydrochloride 973-Amino-5-cyanobenzeneboronic acid hydrochloride 97%
MFCD08436033AKOS025293542PS-9422CS-0174306(3-amino-5-cyanophenyl)boronicacidhydrochlorideE84678(3-Amino-5-cyanophenyl)boronic acid hydrochloride (1:1)(3-Amino-5-cyanophenyl)boronic acid--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
913835-26-4- PubChem CID
- 44119354
- DTXSID
DTXSID30657162- EC Number
- 801-136-0
물성
구조 계산 물성
- 극성 표면적
- 90.3 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 201
물리화학적 성질
- 녹는점
- 123 · 123-125
- 저장 조건
- Keep Cold
- 물리적 상태
- 고체
- 색상
- 오프 화이트
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 (100%): 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 2 reports by companies from 1 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.
안전 데이터
- HS 번호
- 2931900090
- hazard_code
- T,Xi
- 위험 참고 사항
- Irritant/Keep Cold
화학 및 산업
공급사24 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
凯姆斯（苏州）生物科技有限公司0512-67903504 13814824891;13814824891 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
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