5-브로모-2-이소프로폭시-벤조니트릴

5-Bromo-2-isopropoxybenzonitrile

HCID 3262494

기본 정보

CAS
515832-52-7
표준 SMILES
CC(C)Oc1ccc(Br)cc1C#N
InChIKey
YRPPYKWHWKFYGJ-UHFFFAOYSA-N
분자식
C10H10BrNO
평균 분자량
240.1 g/mol
단동위원소 질량
238.99458

이름 및 식별자

우선 이름
5-Bromo-2-isopropoxybenzonitrile
IUPAC
5-bromo-2-propan-2-yloxybenzonitrile
현지명
5-브로모-2-이소프로폭시-벤조니트릴
영어명
5-Bromo-2-isopropoxy-benzonitrile
분자식
C10H10BrNO
분자량
240.1

이름 및 동의어

5-bromo-2-isopropoxybenzonitrile515832-52-7DTXSID90390780RefChem:301683DTXCID403416415-Bromo-2-Isopropoxy-BenzonitrileMFCD022574415-bromo-2-propan-2-yloxybenzonitrile5-bromo-2-(propan-2-yloxy)benzonitrile5-bromo-2-(methylethoxy)benzenecarbonitrileSCHEMBL1293570YRPPYKWHWKFYGJ-UHFFFAOYSA-N
이름 더 보기
5-브로모-2-이소프로폭시-벤조니트릴AKOS B0059265-bromo-2-propan-2-yloxy-benzonitrileBenzonitrile, 5-bromo-2-(1-methylethoxy)-
ALBB-008948BBL016900CL9018SBB029755STK436806AKOS000303816AS-46171SY101105

데이터베이스 식별자

CAS
515832-52-7
PubChem CID
3262494
DTXSID
DTXSID90390780
EC Number
678-705-3

물성

구조 계산 물성

XLogP
3.1
극성 표면적
33 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

끓는 점
308.5 · 308.5±22.0 °C(Predicted)
밀도
1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건
2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): 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 (100%): 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 4 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

ridadr
UN3439
포장분류
III
위험 등급
6.1

화학 및 산업

응용 분야

용도5-Bromo-2-isopropoxybenzonitrile is used as pharmaceutical intermediate.

공급사39 곳

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]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

관련 반응

5건

화합물 노트

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