4-메틸니코틴산염산염

4-Methylnicotinic acid Hydrochloride

HCID 2796506

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 94015-05-1
표준 SMILES: Cc1ccncc1C(=O)O.Cl
InChIKey: QNKFCIXWPNMUAH-UHFFFAOYSA-N
분자식: C7H8ClNO2
평균 분자량: 173.6 g/mol
단동위원소 질량: 173.0243562

이름 및 식별자

우선 이름: 4-Methylnicotinic acid Hydrochloride
IUPAC: 4-methylpyridine-3-carboxylic acid;hydrochloride
현지명: 4-메틸니코틴산염산염
영어명: 4-Methylnicotinic acid hydrochloride
분자식: C7H8ClNO2
분자량: 173.6

이름 및 동의어

4-Methylnicotinic acid Hydrochloride94015-05-1DTXSID90383834RefChem:294614DTXCID603348584-methylpyridine-3-carboxylic Acid Hydrochloride4-METHYLNICOTINIC ACID HCLMFCD008327004-methylpyridine-3-carboxylic acid;hydrochlorideSCHEMBL1536025AKOS015844280DS-1807

이름 더 보기

4-메틸니코틴산염산염4-methylnicotinicacidHCl4-methylpyridine-3-carboxylate4-methylnicotinic acid hydrochlori4-Methylpyridin-3-carboxylic acid HCl4-methylnicotinic acid monohydrochloride4-METHYLNICOTINIC ACID 1.5 HYDROCHLORIDE3-Pyridinecarboxylic acid, 4-Methyl-, hydrochloride

TS-02389CS-00077264-methylnicotinic acid hydrochloride, AldrichCPR4-methylpyridin-1-ium-3-carboxylic acid;chloride4-Methyl-nicotinic acid hydrochlorideFT-0619092orb30305404-MethylnicotinicacidHydrochloride

데이터베이스 식별자

CAS: 94015-05-1
PubChem CID: 2796506
DTXSID: DTXSID90383834
EC Number: 677-477-2

물성

구조 계산 물성

극성 표면적: 50.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 241 °C · 241 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
InChI: 1S/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKey: QNKFCIXWPNMUAH-UHFFFAOYSA-N
SMILES: Cl.Cc1ccncc1C(O)=O

화학적 성질

White solid

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 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

wgk: WGK 3
HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects