4-브로모-1,3,5-트리메틸-1H-피라졸

4-Bromo-1,3,5-trimethylpyrazole

HCID 519181CAS 15801-69-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nn(C)c(C)c1Br
InChIKey: UNTQXOJGXGRHMG-UHFFFAOYSA-N
분자식: C6H9BrN2
평균 분자량: 189.05 g/mol
단동위원소 질량: 187.99491039

이름 및 식별자

우선 이름: 4-Bromo-1,3,5-trimethylpyrazole
IUPAC: 4-bromo-1,3,5-trimethylpyrazole
현지명: 4-브로모-1,3,5-트리메틸-1H-피라졸
영어명: 4-Bromo-1,3,5-trimethyl-1H-pyrazole
분자식: C6H9BrN2
분자량: 189.05

이름 및 동의어

4-Bromo-1,3,5-trimethylpyrazoleRefChem:518829625-760-64-Bromo-1,3,5-trimethyl-1H-pyrazole15801-69-1MFCD000525321H-Pyrazole, 4-bromo-1,3,5-trimethyl-4-bromo-1,3,5-trimethyl-pyrazoleSCHEMBL30615SCHEMBL27993284SCHEMBL28608397DTXSID40333905

이름 더 보기

4-브로모-1,3,5-트리메틸-1H-피라졸BUTTPARK 34\09-421,3,5-trimethyl-4-bromoperazole4-Bromo-1,3,5-trimethylpyrazole 98%4-Bromo-1,3,5-trimethylpyrazole >1,3,5-Trimethyl-4-bromo-1H-pyrazole4-Bromo-1,3,5-trimethyl-1H-pyrazole ,98%4-BROMO-1,3,5-TRIMETHYLPYRAZOLE, PURISS, 98%

4-bromo- 1,3,5-trimethylpyrazoleALBB-0044504 -Bromo-1,3,5-trimethylpyrazoleSBB047367STK503175AKOS002657000pyrazole, 4-bromo-1,3,5-trimethyl-AB02192

데이터베이스 식별자

CAS: 15801-69-1
PubChem CID: 519181
DTXSID: DTXSID40333905
EC Number: 625-760-6
Nikkaji: J266.785A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 107

물리화학적 성질

녹는점: 30 · 30-34 °C (lit.)
끓는 점: 101 · 101-102 °C/15 mmHg (lit.)
밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
인화점: 219 °F · 219 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 디클로로메탄, 에탄올 에 용해됨
산도 계수 (pKa): 1.26 · 1.26±0.10(Predicted)
물리적 상태: 고체
색상: 백색 결정체
BRN: 2371 · 2371
InChI: 1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
InChIKey: UNTQXOJGXGRHMG-UHFFFAOYSA-N
SMILES: Cc1nn(C)c(C)c1Br
NIST: 4 · 4-Bromo-1,3,5-trimethylpyrazole(15801-69-1)

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Danger

H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (95.2%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29331990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 22-24/25-36/37/39-26
포장분류: Ⅲ
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects