3,5-Dichloro-2-pyridinecarboxylic acid

HCID 219989CAS 81719-53-1

기본 정보

표준 SMILES: O=C(O)c1ncc(Cl)cc1Cl
InChIKey: JYKZCYLZWZCQFP-UHFFFAOYSA-N
분자식: C6H3Cl2NO2
평균 분자량: 192 g/mol
단동위원소 질량: 190.9540837

이름 및 식별자

우선 이름: 3,5-Dichloro-2-pyridinecarboxylic acid
IUPAC: 3,5-dichloropyridine-2-carboxylic acid
영어명: 3,5-Dichloro-2-pyridinecarboxylic acid
분자식: C6H3Cl2NO2
분자량: 192

이름 및 동의어

81719-53-13,5-DICHLORO-2-PYRIDINECARBOXYLIC ACID3,5-dichloropyridine-2-carboxylic acidDTXSID20277373RefChem:486715DTXCID10228531813-620-93,5-dichloropicolinic acidMFCD032300052-Pyridinecarboxylic acid, 3,5-dichloro-NSC20103,5-Dichloropyridine-2-carboxylicAcid

이름 더 보기

RARECHEM AL BO 24015-Dichloro-2-pyridinecarboxylic acid2-Pyridinecarboxylicacid, 3,5-dichloro-3,5-DICHLORO-2-PYRIDINECARBOXYLIC ACID 98+%3,5-Dichloro-2-pyridinecarboxylic acid ISO 9001：2015 REACH3,5-Dichloropicolinic acid, 2-Carboxy-3,5-dichloropyridine

SCHEMBL287761SCHEMBL5460477JYKZCYLZWZCQFP-UHFFFAOYSA-NNSC-2010SBB052940AKOS005258279AB13812AC-9474

데이터베이스 식별자

CAS: 81719-53-1
PubChem CID: 219989
DTXSID: DTXSID20277373
EC Number: 813-620-9
Nikkaji: J1.537.726G

물성

구조 계산 물성

XLogP: 2
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: 165

물리화학적 성질

녹는점: 153 · 153-154 °C
끓는 점: 315.4 · 315.4±37.0 °C(Predicted)
밀도: 1.612 · 1.612±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
산도 계수 (pKa): 2.12 · 2.12±0.25(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3.2% (1 of 31) of reports.

Danger

H301 (93.5%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (93.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (93.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 31 reports by companies.；There are 3 notifications provided by 30 of 31 reports by companies with hazard statement code(s).；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.