CAS 36082-50-5 5-Bromo-2,4-dichloropyrimidine (HCID 289973)

이름 및 식별자

우선 이름: 5-Bromo-2,4-dichloropyrimidine
IUPAC: 5-bromo-2,4-dichloropyrimidine
영어명: 5-Bromo-2,4-dichloropyrimidine
분자식: C4HBrCl2N2
분자량: 227.87

이름 및 동의어

5-Bromo-2,4-dichloropyrimidine36082-50-55-Bromo-2,4-dichloro-pyrimidineSIKXIUWKPGWBBF-UHFFFAOYSA-DTXSID40302656RefChem:102099DTXCID40253790629-358-1InChI=1/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1HSIKXIUWKPGWBBF-UHFFFAOYSA-N2,4-dichloro-5-bromopyrimidineMFCD00127818

이름 더 보기

NSC 1525175-Bromo-2,4-dichLBUTTPARK 48\06-22TIMTEC-BB SBB003301Xylose Impurity 3-d12,4-Dichloro-5-Bromouracil5-Bromo-2,4-dichloropyrdmidine

PYRIMIDINE, 5-BROMO-2,4-DICHLORO-Palbociclib impurity 992,6-dichloro-5-bromopyrimidine2,4-Dichloro-5-bormopyrimidineNSC-152517NSC152517MPA6TPX8YCSCHEMBL217854

데이터베이스 식별자

CAS: 36082-50-5
PubChem CID: 289973
DTXSID: DTXSID40302656
UNII: MPA6TPX8YC
EC Number: 629-358-1
Nikkaji: J2.324.682A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

물리화학적 성질

녹는점: 29 · 29-30 °C (lit.)
끓는 점: 128 °C/15 · 128 °C/15 mmHg (lit.)
밀도: 1.781 g/mL · 1.781 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.603(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름 (약간 용해됨), 에테르 (약간 용해됨), 에틸아세테이트 (약간 용해됨), 톨루엔 (약간 용해됨)
물리적 상태: 액체 또는 저융점 고체
산도 계수 (pKa): -4.26 · -4.26±0.29(Predicted)
Specific Gravity: 1.781 · 1.781
색상: 무색투명~연황색
BRN: 124441 · 124441
InChI: InChI=1S/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey: SIKXIUWKPGWBBF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Br)C(Cl)=N1

화학적 성질

Colourless Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (74.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25504

Hazard Classes and CategoriesAcute Tox. 3 (93.1%)

안전 데이터

wgk: 3
ridadr: UN 3263 8/PG 2
HS 번호: 29335990
risk_code: 23/24/25-34-43
hazard_code: T,C
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Toxic/Corrosive
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도5-Bromo-2,4-dichloropyrimidine may be employed as starting reagent for the synthesis of positive allosteric modulators for GABAB receptors (drug-like class of compounds) and pyridinepyrimidine analogs.

일반 설명5-Bromo-2,4-dichloropyrimidine is a halogenoprimidine. It has been reported as an intermediate during the synthesis of 2,4-di-t-butoxy-5-bromopyrimidine and 2,4-di-t-butoxy-5-pyrimidineboronic acid.

상·하류 제품 정보

상류 원료

5-Bromouracil 인 펜타염화물 1,1,2-트라이클로로에테인

하류 제품

4-Amino-5-bromo-2-chloropyrimidine 4-BENZYLOXY-5-BROMO-2-CHLOROPYRIMIDINE 2-클로로-7H-피롤로[2,3-D]피리미딘 5-BROMO-2-CHLORO-4-METHOXYPYRIMIDINE 2 , 4-BIS(BENZYLOXY)-5-BROMOPYRIMIDINE 5-BROMO-2-CHLORO-4-(DIMETHYLAMINO)PYRIMIDINE 2,4-DI-(TERT-BUTOXY)-5-BROMOPYRIMIDINE 5-브로모-2-클로로-4-메틸피리미딘 5-브로모-2-클로로-N-페닐-4-피리미딘아민 5-bromo-2-chloro-N-(prop-2-en-1-yl)pyrimidin-4-amine 5-브로모-2,4-비스(메틸티오)피리미딘 5-BROMO-2-CHLORO-4-(1-PIPERIDINYL)PYRIMIDINE

공급사100 곳

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

南京科朗科技有限公司025-58748998 18951874644 · [email protected]

화합물 노트

불러오는 중…

5-Bromo-2,4-dichloropyrimidine

기본 정보