2-Chloropyrimidine (HCID 74404)

이름 및 식별자

우선 이름: 2-Chloropyrimidine
IUPAC: 2-chloropyrimidine
영어명: 2-Chloropyrimidine
분자식: C4H3ClN2
분자량: 114.53

이름 및 동의어

2-Chloropyrimidine1722-12-9PYRIMIDINE, 2-CHLORO-94EZW2WL9ENSC-43544DTXSID70169214RefChem:86537DTXCID7091705217-020-22-chloro-pyrimidinechloropyrimidineMFCD00006060

이름 더 보기

2-Chloro2-chloro-pyrimidin2CPY X HCL2-chloropyrimide2-Chlorpyrimidin2-choropyrimidine2-Chloropyrimindine2-Chloro-1,3-diazine

chloro-pyrimidine2-chloropyrirnidine2-chloro pyrimidine2-pyrimidinyl chlorideNSC43544CHEMBL5433017CS-W008600AB00572

데이터베이스 식별자

CAS: 1722-12-9
PubChem CID: 74404
DTXSID: DTXSID70169214
ChEMBL: CHEMBL5433017
UNII: 94EZW2WL9E
EC Number: 217-020-2
Nikkaji: J147.988A

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 51

실험 및 물리화학적 성질

Vapor Pressure2.48 [mmHg]

Physical DescriptionLight yellow hygroscopic solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 63 · 63-66 °C (lit.)
끓는 점: 75 · 75-76 °C/10 mmHg (lit.)
밀도: 1.271 · 1.2710 (rough estimate)
굴절률: 1.532 · 1.5320 (estimate)
인화점: 98 °C · 98 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 에 용해됨메탄올, 물
산도 계수 (pKa): -1.46 · -1.46±0.13(Predicted)
물리적 상태: 결정 또는 결정성 분말
색상: 노란색에서 연한 주황색까지
수용성: 33.3 mg은 · 물에 약간 용해됩니다. 33.3mg은 알코올 1mL에 용해됩니다.
BRN: 107171 · 107171
InChI: 1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H
InChIKey: UNCQVRBWJWWJBF-UHFFFAOYSA-N
SMILES: Clc1ncccn1
NIST: 2 · Pyrimidine, 2-chloro-(1722-12-9)

화학적 성질

yellowish to pale orange crystals or cryst. powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (16.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 9 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.

유해성 정보

Regulatory InformationStatus: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22128

Hazards SummaryA skin, respiratory tract, and severe eye irritant; Toxic by ingestion; Oral LD50 (rat) = 200-2,000 mg/kg; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (85.7%)；Skin Irrit. 2 (12.5%)；Skin Sens. 1 (16.1%)；Eye Irrit. 2 (91.1%)；STOT SE 3 (12.5%)

규제 정보

Regulatory InformationStatus: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22128

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29339900
risk_code: 22-36-36/38-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39-36
포장분류: III
위험 등급: 6.1(b)
F 고인화성물질: 10-23
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.

일반 설명2-Chloropyrimidine undergoes cobalt-catalyzed cross-coupling reaction with aryl halides.