3-Chloro-5-cyanopyridine-2-carboxylic acid

HCID 50853176CAS 1200497-81-9

기본 정보

표준 SMILES: N#Cc1cnc(C(=O)O)c(Cl)c1
InChIKey: NHQRPMDOQOKWPU-UHFFFAOYSA-N
분자식: C7H3ClN2O2
평균 분자량: 182.56 g/mol
단동위원소 질량: 181.988305

이름 및 식별자

우선 이름: 3-Chloro-5-cyanopyridine-2-carboxylic acid
IUPAC: 3-chloro-5-cyanopyridine-2-carboxylic acid
영어명: 2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid
분자식: C7H3ClN2O2
분자량: 182.56

이름 및 동의어

1200497-81-93-chloro-5-cyanopyridine-2-carboxylic acidDTXSID00678884RefChem:93459DTXCID40629633839-588-63-Chloro-5-cyanopicolinic acid3-chloro-5-cyano-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 3-chloro-5-cyano-3-chloro-5-cyano-pyridine-2-carboxylic acidMFCD145848173-Chloro-5-cyanopicolinic acid3-chloro-5-cyanopicolinic acid

이름 더 보기

2-Carboxy-3-chloro-5-cyanopyridine2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid

2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolchloro-5-cyanopicolinic acid3-Chloro-5-cyanopicolinicacidSCHEMBL1173688NHQRPMDOQOKWPU-UHFFFAOYSA-NAYB49781SBB089957AKOS005071736

데이터베이스 식별자

CAS: 1200497-81-9
PubChem CID: 50853176
DTXSID: DTXSID00678884
EC Number: 839-588-6

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 74 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 235

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.