CAS 54454-10-3 5-Chloro-1,3-dimethylpyrazole (HCID 521507)

기본 정보

CAS: 54454-10-3
표준 SMILES: Cc1cc(Cl)n(C)n1
InChIKey: DDUSLFAWARYAPR-UHFFFAOYSA-N
분자식: C5H7ClN2
평균 분자량: 130.57 g/mol
단동위원소 질량: 130.0297759

이름 및 식별자

우선 이름: 5-Chloro-1,3-dimethylpyrazole
IUPAC: 5-chloro-1,3-dimethylpyrazole
현지명: 5-클로로-1,3-디메틸피라졸
영어명: 5-Chloro-1,3-dimethylpyrazole
분자식: C5H7ClN2
분자량: 130.58

이름 및 동의어

5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-35-Chloro-1,3-dimethylpyrazoleDTXSID30334663RefChem:534237DTXCID40285753611-147-01H-Pyrazole, 5-chloro-1,3-dimethyl-MFCD000516501,3-dimethyl-5-chloropyrazoleSCHEMBL21061SCHEMBL297897

이름 더 보기

5-클로로-1,3-디메틸피라졸

orb3030332SCHEMBL141282725-Chlorode-1,3-dimethylpyrazoleBUTTPARK 82\11-55Fr14024STR06047SBB0544325-Chloro-1,3-dimethylpyrazole,98%

데이터베이스 식별자

CAS: 54454-10-3
PubChem CID: 521507
DTXSID: DTXSID30334663
EC Number: 611-147-0
Nikkaji: J3.112.081K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 86

물리화학적 성질

끓는 점: 60 · 60-62 °C (15 mmHg)
밀도: 1 · 1,137 g/cm3
굴절률: 1.485 · 1.485-1.487
인화점: 153 · 153-155°C
용해도: 클로르포름에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 1.48 · 1.48±0.10(Predicted)
색상: 맑은 연한 노란색
BRN: 113451 · 113451

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (14.3%): Combustible liquid [Warning Flammable liquids]；H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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 CategoriesFlam. Liq. 3 (14.3%)；Flam. Liq. 4 (14.3%)；Acute Tox. 4 (28.6%)；Skin Irrit. 2 (71.4%)；Eye Irrit. 2A (71.4%)；STOT SE 3 (71.4%)