4-브로모-1-메틸피라졸

1H-Pyrazole, 4-bromo-1-methyl-

HCID 167433

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 15803-02-8
표준 SMILES: Cn1cc(Br)cn1
InChIKey: IXJSDKIJPVSPKF-UHFFFAOYSA-N
분자식: C4H5BrN2
평균 분자량: 161 g/mol
단동위원소 질량: 159.96361026

이름 및 식별자

우선 이름: 1H-Pyrazole, 4-bromo-1-methyl-
IUPAC: 4-bromo-1-methylpyrazole
현지명: 4-브로모-1-메틸피라졸
영어명: 4-Bromo-1-methylpyrazole
분자식: C4H5BrN2
분자량: 161

이름 및 동의어

4-bromo-1-methyl-1H-pyrazole15803-02-81H-Pyrazole, 4-bromo-1-methyl-DTXSID40166351RefChem:438948DTXCID4088842605-126-54-bromo-1-methylpyrazole4-bromo-1-methyl-pyrazoleMFCD021795651-Mehtyl-4-bromo-1H-pyrazoleSCHEMBL671347

이름 더 보기

4-브로모-1-메틸피라졸4-Bromo-1-Methyl-1-Pyrazol1--4- MethylbroMidepyrazolecyclopent-1-enecarbaldehyde4-Bromo-1-methylpyrazole >1- Methyl-4- broMinepyrazole1-Methyl-4-bromo-1H-pyrazole4-broMo-1-Methyl-1H-pyraz...

SCHEMBL885506pyrazole, 4-bromo-1-methyl-SCHEMBL1948248SCHEMBL6021167ALBB-004428SBB019150STK503166AKOS000320620

데이터베이스 식별자

CAS: 15803-02-8
PubChem CID: 167433
DTXSID: DTXSID40166351
EC Number: 605-126-5
Nikkaji: J1.658.515G

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 66.7

물리화학적 성질

끓는 점: 185 · 185-188°C
밀도: 1.558 · 1.558
굴절률: 20 · n20/D 1.531
인화점: 93 °C · 93°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 0.21 · 0.21±0.10(Predicted)
색상: 무색~담황색
InChI: InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKey: IXJSDKIJPVSPKF-UHFFFAOYSA-N
SMILES: N1(C)C=C(Br)C=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

안전 데이터

wgk: 3
ridadr: UN1760
HS 번호: 29331990
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도4-Bromo-1-methylpyrazole is a colourless or light yellow liquid at room temperature and pressure. It can be used as an intermediate in organic synthesis. It has good solubility in common organic solvents such as ethyl acetate, dichloromethane, dimethyl sulfoxide, and N, N-dimethylformamide but poor solubility in water.