CAS 2972-52-3 2,4-Dichloropyrimidine-5-carbonyl chloride (HCID 13784112)

기본 정보

CAS: 2972-52-3
표준 SMILES: O=C(Cl)c1cnc(Cl)nc1Cl
InChIKey: DZTIFMWYYHCREC-UHFFFAOYSA-N
분자식: C5HCl3N2O
평균 분자량: 211.43 g/mol
단동위원소 질량: 209.91544569

이름 및 식별자

우선 이름: 2,4-Dichloropyrimidine-5-carbonyl chloride
IUPAC: 2,4-dichloropyrimidine-5-carbonyl chloride
현지명: 2,4-디클로로-5-피리미딘카르보닐클로라이드
영어명: 2,4-Dichloro-5-pyrimidinecarbonyl chloride
분자식: C5HCl3N2O
분자량: 211.43

이름 및 동의어

2972-52-32,4-dichloropyrimidine-5-carbonyl chlorideDTXSID10549399RefChem:246358DTXCID70500183638-925-22,4-Dichloro-5-pyrimidinecarbonyl chlorideMFCD097424325-PYRIMIDINECARBONYL CHLORIDE, 2,4-DICHLORO-SCHEMBL4299692,4-Dichloro-pyrimidine-5-carbonyl ChlorideCS-W003626

이름 더 보기

2,4-디클로로-5-피리미딘카르보닐클로라이드2,4-Dichloro-5-pyrimidinecarboxylic acid chlorideRSYY（Avanafil)-465-(Chlorocarbonyl)-2,4-dichlo2,4-dichloro-5-pyrimidinyl chloride5-(Chlorocarbonyl)-2,4-dichloropyrimidine2,3-Dichloro-5-pyrimidine carbonyl chloride2,4-DichloropyriMidine-5-carbonyl chloride 97%

2,4-Dichloropyrimidine-5-carbonyl chloride, 97%2,4-Dichloro-5-pyrimidinecarbonylchlorideA5516SCHEMBL31469871DZTIFMWYYHCREC-UHFFFAOYSA-N1,2-NAPHTHOQUINONE-4-SUSBB067931AKOS000149268

데이터베이스 식별자

CAS: 2972-52-3
PubChem CID: 13784112
DTXSID: DTXSID10549399
EC Number: 638-925-2

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 42.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 166

물리화학적 성질

끓는 점: 83 °C · 83 °C(Press: 0.05 Torr)
밀도: 1.645 g/mL · 1.645 g/mL at 25 °C
굴절률: 20 · n20/D1.586
인화점: 93 ℃ · 93℃
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 액체
산도 계수 (pKa): -5.08 · -5.08±0.29(Predicted)
색상: Clear, colourless
InChI: InChI=1S/C5HCl3N2O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H
InChIKey: DZTIFMWYYHCREC-UHFFFAOYSA-N
SMILES: C(Cl)(C1=CN=C(Cl)N=C1Cl)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 2933599590
risk_code: 20/21/22-34
hazard_code: C,Xi
safety_code: 6-7/9-24/25-26-36/37/39-51
포장분류: Ⅲ
위험 등급: IRRITANT, CORROSIVE
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials