2-Methylnicotinic acid

HCID 643373CAS 3222-56-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ncccc1C(=O)O
InChIKey: HNTZKNJGAFJMHQ-UHFFFAOYSA-N
분자식: C7H7NO2
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.04767846

개요

2-Methylnicotinic acid has been reported in Aenictus with data available.

이름 및 식별자

우선 이름: 2-Methylnicotinic acid
IUPAC: 2-methylpyridine-3-carboxylic acid
영어명: 2-Methylnicotinic acid
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

2-methylnicotinic acid3222-56-8DTXSID30349156RefChem:88346DTXCID90300228InChI=1/C7H7NO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4H,1H3,(H,9,102-Methylpyridine-3-carboxylic acid2-Methyl-nicotinic acid3-pyridinecarboxylic acid, 2-methyl-MFCD000134492-methyl nicotinic acidmethylnicotinic acid

이름 더 보기

TIMTEC-BB SBB0041962-Methylnicotin Acid2-Methylnicotinnic acid2-MethylnicotinicAcid>2-Methylnicotinic acid,98+%2-Picoline-3-carboxylic Acid2-Methylnicotinic acid, 98+% 1GR2-Methylpyridin-3-carboxylic acid

2-MethylnicotinicacidAKOS002665630CS-W002091PS-5559SY0070142-METHYL-3-PYRIDINECARBOXYLIC ACIDM2089EN300-72813

데이터베이스 식별자

CAS: 3222-56-8
PubChem CID: 643373
DTXSID: DTXSID30349156
UNII: 5LSJ5AL59F
EC Number: 628-913-5
Nikkaji: J308.153B

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 228 · 228-230 °C (dec.)(lit.)
끓는 점: 280.4 · 280.4±20.0 °C(Predicted)
밀도: 1.23 · 1.230±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 1.95 · 1.95±0.10(Predicted)
물리적 상태: 분말 또는 결정질
색상: 황백색부터 연한 갈색까지
BRN: 114333 · 114333
InChI: InChI=1S/C7H7NO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4H,1H3,(H,9,10)
InChIKey: HNTZKNJGAFJMHQ-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC=C1C(O)=O

화학적 성질

Off-white Plates

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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.