2-Chloro-6-methoxypyridine-4-carboxylic acid

HCID 2782124CAS 15855-06-8

기본 정보

표준 SMILES: COc1cc(C(=O)O)cc(Cl)n1
InChIKey: PJQBTHQTVJMCFX-UHFFFAOYSA-N
분자식: C7H6ClNO3
평균 분자량: 187.58 g/mol
단동위원소 질량: 187.00362073

이름 및 식별자

우선 이름: 2-Chloro-6-methoxypyridine-4-carboxylic acid
IUPAC: 2-chloro-6-methoxypyridine-4-carboxylic acid
영어명: 2-Chloro-6-methoxyisonicotinic acid
분자식: C7H6ClNO3
분자량: 187.58

이름 및 동의어

2-chloro-6-methoxypyridine-4-carboxylic acidRefChem:469677633-912-815855-06-82-CHLORO-6-METHOXYISONICOTINIC ACID4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-METHOXY-MFCD001739282-Chloro-6-methoxy-isonicotinic acid2-chloro-6-methoxy-pyridine-4-carboxylic AcidSCHEMBL8377982-Chloro-6-methoxypyridine-4-carboxylicAcidAB04381

이름 더 보기

BUTTPARK 43\57-34TIMTEC-BB SBB0054272-Chloro-6-methoxypyridine-4-c2-Chloro-6-methoxyisonicotinicaci2-Chloro-6-methoxy-4-pyridinecarboxylic acid2-Chloro-6-methoxyisonicotinic acid ISO 9001：2015 REACH2-Chloro-6-methoxypyridine-4-carboxylic acid, 4-Carboxy-2-chloro-6-methoxypyridine

2-Chloro-6-Methoxy Iso Nicotinic AcidDTXSID60381948PJQBTHQTVJMCFX-UHFFFAOYSA-NCS-D1069SBB005427AKOS005072771FA-0923AC-23195

데이터베이스 식별자

CAS: 15855-06-8
PubChem CID: 2782124
DTXSID: DTXSID60381948
EC Number: 633-912-8
Nikkaji: J307.673C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 214 °C · 214 °C
끓는 점: 209 · 209-213℃
밀도: 1.43 · 1.430±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 2.88 · 2.88±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
InChI: 1S/C7H6ClNO3/c1-12-6-3-4(7(10)11)2-5(8)9-6/h2-3H,1H3,(H,10,11)
InChIKey: PJQBTHQTVJMCFX-UHFFFAOYSA-N
SMILES: COc1cc(cc(Cl)n1)C(O)=O

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.