3-BROMO-4-HYDROXY-5-메톡시벤조니트릴

3-Bromo-4-hydroxy-5-methoxybenzonitrile

HCID 7021625

기본 정보

CAS
52805-45-5
표준 SMILES
COc1cc(C#N)cc(Br)c1O
InChIKey
FHXLXRNDUJYBEQ-UHFFFAOYSA-N
분자식
C8H6BrNO2
평균 분자량
228.04 g/mol
단동위원소 질량
226.95819

이름 및 식별자

우선 이름
3-Bromo-4-hydroxy-5-methoxybenzonitrile
IUPAC
3-bromo-4-hydroxy-5-methoxybenzonitrile
현지명
3-BROMO-4-HYDROXY-5-메톡시벤조니트릴
영어명
3-BROMO-4-HYDROXY-5-METHOXYBENZONITRILE
분자식
C8H6BrNO2
분자량
228.04

이름 및 동의어

3-bromo-4-hydroxy-5-methoxybenzonitrile52805-45-5DTXSID40427393RefChem:277457DTXCID10378227623-528-93-Bromo-4-Hydroxy-5-Methoxy-BenzonitrileMFCD011230273-bromo-4-hydroxy-5-methoxybenzenecarbonitrileSCHEMBL8440705FHXLXRNDUJYBEQ-UHFFFAOYSA-NALBB-008944
이름 더 보기
3-BROMO-4-HYDROXY-5-메톡시벤조니트릴Benzonitrile, 3-broMo-4-hydroxy-5-Methoxy-
BBL037390SBB019879STK348814AKOS000271024ST083046SY049524VS-14121DB-071587

데이터베이스 식별자

CAS
52805-45-5
PubChem CID
7021625
DTXSID
DTXSID40427393
EC Number
623-528-9

물성

구조 계산 물성

XLogP
1.9
극성 표면적
53.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12

물리화학적 성질

녹는점
143 · 143-146 °C
저장 조건
2 · 2-8°C
용해도
메탄올에 용해됨
물리적 상태
powder to crystal
색상
흰색에서 거의 흰색
InChI
1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (38.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (98.6%): 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 (98.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (98.6%): 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 73 reports by companies from 6 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 (98.6%);Acute Tox. 4 (98.6%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (98.6%);STOT SE 3 (98.6%)

안전 데이터

wgk
3
ridadr
UN3439
HS 번호
2926907090
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
26-36

화학 및 산업

공급사40 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

관련 반응

2건

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