Picolinoyl Chloride Hydrochloride

HCID 135033CAS 39901-94-5

기본 정보

표준 SMILES: Cl.O=C(Cl)c1ccccn1
InChIKey: VIPHVHVAGBKHGR-UHFFFAOYSA-N
분자식: C6H5Cl2NO
평균 분자량: 178.01 g/mol
단동위원소 질량: 176.97481914

이름 및 식별자

우선 이름: Picolinoyl Chloride Hydrochloride
IUPAC: pyridine-2-carbonyl chloride;hydrochloride
영어명: Pyridine-2-carbonyl chloride hydrochloride
분자식: C6H5Cl2NO
분자량: 178.01

이름 및 동의어

Picolinoyl chloride hydrochlorideRefChem:863123675-819-539901-94-5Pyridine-2-carbonyl Chloride Hydrochloride2-Pyridinecarbonyl chloride, hydrochlorideMFCD00060193pyridine-2-carbonyl chloride;hydrochlorideSCHEMBL337642picolinoyl chloride hy-drochloridePicolinoyl chloride, hydrochloride2-picolinoyl chloride hydrochloride

이름 더 보기

Nsc254051JACS-39901-94-5Pyridine-2-CarbonylPyridine-2-carbonylchlorideHClPyridin-2-carbonyl chloride HClPyridine-2-formyl chloride hydrochloride5-Bromo-75-fluorobenzylamine&hydrochloridePyridine-2-carbonylChlorideHydrochloride>

picolinic acid chloride hydrochlorideCS-W008415NSC-254051BP-10679Picolinoyl chlori2-Pyridinecarbonyl Chloride Hydrochloride; 2-Picolinoyl Chloride Hydrochloride; 2-Pyridinoyl Chloride Hydrochloride; Picolinic Acid Chloride Hydrochloride; Picolinoyl Chloride Hydrochloride;NSC 254051PYRIDINE-2-CARBONYL CHLORIDE HCL

데이터베이스 식별자

CAS: 39901-94-5
PubChem CID: 135033
DTXSID: DTXSID60192955
UNII: KJ79PL9X87
EC Number: 675-819-5

물성

구조 계산 물성

극성 표면적: 30 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 123 °C · 123°C
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: powder to crystal
색상: White to Gray to Red
InChI: InChI=1S/C6H4ClNO.ClH/c7-6(9)5-3-1-2-4-8-5;/h1-4H;1H
InChIKey: VIPHVHVAGBKHGR-UHFFFAOYSA-N
SMILES: C(C1N=CC=CC=1)(=O)Cl.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.