2-Chloro-6-methylnicotinic acid

HCID 121724CAS 30529-70-5

기본 정보

표준 SMILES: Cc1ccc(C(=O)O)c(Cl)n1
InChIKey: ACQXHCHKMFYDPM-UHFFFAOYSA-N
분자식: C7H6ClNO2
평균 분자량: 171.58 g/mol
단동위원소 질량: 171.00870611

이름 및 식별자

우선 이름: 2-Chloro-6-methylnicotinic acid
IUPAC: 2-chloro-6-methylpyridine-3-carboxylic acid
영어명: 2-Chloro-6-methylnicotinic acid
분자식: C7H6ClNO2
분자량: 171.58

이름 및 동의어

2-Chloro-6-methylnicotinic acid30529-70-5EINECS 250-229-7DTXSID90184585RefChem:469699DTXCID30107076250-229-72-chloro-6-methylpyridine-3-carboxylic acid2-Chloro-6-methyl-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-chloro-6-methyl-MFCD001341652-Chloro-6-methylnicotinicacid

이름 더 보기

4-Chloro-6-methylnicotinic acidRARECHEM AL BO 06836-METHYL-2-CHLORO NICOTINIC ACID2-Chlroro-6-Methylnicotinic Acid2-Chloro-6-methylnicotinicacid,97%2-Chloro-6-methylnicotinic acid 98%3-CARBOXY-2-CHLORO-6-METHYLPYRIDINE

2-Chloro-6-methyl nicotinic acidUNII-6HJ6V3KP7Q6HJ6V3KP7QSY009352TIMTEC-BB SBB003843SCHEMBL4006742-Chloro-6-methyl-nicotinic acidALBB-005466

데이터베이스 식별자

CAS: 30529-70-5
PubChem CID: 121724
DTXSID: DTXSID90184585
UNII: 6HJ6V3KP7Q
EC Number: 250-229-7
Nikkaji: J287.361C

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 162 · 162-164 °C (lit.)
끓는 점: 163 °C · 163 °C / 22mmHg
밀도: 1.3246 · 1.3246 (rough estimate)
굴절률: 1.556 · 1.5560 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 2.28 · 2.28±0.28(Predicted)
색상: 흰색에서 노란색, 베이지색으로
BRN: 473070 · 473070
InChI: InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11)
InChIKey: ACQXHCHKMFYDPM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC=C1C(O)=O

화학적 성질

white to yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Chloro-6-methylpyridine-3-carboxylic acid (2-Chloro-6-methylnicotinic acid) may be used in the synthesis of 6-methyl-2-thiophenoxynicotinic acid, required for the preparation of europium complex for staining the nucleolus of NIH 3T3, HeLa and HDF cells.

일반 설명2-Chloro-6-methylpyridine-3-carboxylic acid (2-Chloro-6-methylnicotinic acid) is a nicotinic acid derivative.