CAS 865138-11-0 5-tert-Butyl-1H-pyrazole-3-carbaldehyde (HCID 178441082)

기본 정보

CAS: 865138-11-0
표준 SMILES: CC(C)(C)c1cc(C=O)[nH]n1
InChIKey: UPKIRZZYJRVBSJ-UHFFFAOYSA-N
분자식: C8H12N2O
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.09496301

이름 및 식별자

우선 이름: 5-tert-Butyl-1H-pyrazole-3-carbaldehyde
IUPAC: 5-tert-butyl-1H-pyrazole-3-carbaldehyde
현지명: 5-TERT-부틸-1H-피라졸-3-카발데하이드
영어명: 5-tert-Butyl-1H-pyrazole-3-carbaldehyde
분자식: C8H12N2O
분자량: 152.19

이름 및 동의어

865138-11-05-tert-Butyl-1H-pyrazole-3-carbaldehydeDTXSID70631082RefChem:304903DTXCID50581834801-157-53-tert-butyl-1H-pyrazole-5-carbaldehyde5-(tert-Butyl)-1H-pyrazole-3-carbaldehydeMFCD098643843-(tert-butyl)-1H-pyrazole-5-carbaldehyde1H-pyrazole-5-carboxaldehyde, 3-(1,1-dimethylethyl)-SCHEMBL2827757

이름 더 보기

5-TERT-부틸-1H-피라졸-3-카발데하이드5-tert-butyl-1H-pyrazole-3-carboxaldehyde5-tert-Butyl-2H-pyrazole-3-carboxaldehyde1H-Pyrazole-3-carboxaldehyde, 5-(1,1-dimethylethyl)-5-tert-butyl-1H-pyrazole-3-carbaldehyde(SALTDATA: FREE)

SCHEMBL24323593SCHEMBL27639619UPKIRZZYJRVBSJ-UHFFFAOYSA-NALBB-010103MFCD12028432AKOS000111482AKOS0221850565-(tert-Butyl)pyrazole-3-carbaldehyde

데이터베이스 식별자

CAS: 865138-11-0
PubChem CID: 23157265

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

물리적 상태: solid
InChI: 1S/C8H12N2O/c1-8(2,3)7-4-6(5-11)9-10-7/h4-5H,1-3H3,(H,9,10)
InChIKey: UPKIRZZYJRVBSJ-UHFFFAOYSA-N
SMILES: O=C([H])C1=NNC(C(C)(C)C)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

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 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933199090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사6 곳

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

凯试（上海）科技有限公司021-50135380 · [email protected]

成都效佳科技有限公司15902830537 · [email protected]

上海特伯化学科技有限公司021-58170097 · [email protected]

江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]

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