4-Chloro-2-methylpyrimidine

HCID 424447
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기본 정보

CAS
4994-86-9
표준 SMILES
Cc1nccc(Cl)n1
InChIKey
WDTVJRYCMIZPMX-UHFFFAOYSA-N
분자식
C5H5ClN2
평균 분자량
128.56 g/mol
단동위원소 질량
128.0141259

이름 및 식별자

우선 이름
4-Chloro-2-methylpyrimidine
IUPAC
4-chloro-2-methylpyrimidine
영어명
4-Chloro-2-methylpyrimidine
분자식
C5H5ClN2
분자량
128.56

이름 및 동의어

4-Chloro-2-methylpyrimidine4994-86-9Pyrimidine, 4-chloro-2-methyl-DTXSID40329848RefChem:98388DTXCID20280943800-409-1WDTVJRYCMIZPMX-UHFFFAOYSA-N4-Chloro-2-methyl-pyrimidineMFCD002340692-methyl-4-chloropyrimidineAKOS000557983
이름 더 보기
CHEMBRDG-BB 40154624-Chloro-2-methylpyrimidine95%4-Chloro-2-methylpyrimidine >2-methyl-4-chloro-[3,4-d]-pyrimidine4-chloro-2-methylpyrimidine(SALTDATA: FREE)Pyrimidine, 4-chloro-2-methyl- (7CI,8CI,9CI)
GS-58224-Chloro-2-methylpyrimidine, AldrichCPRAC-25270C2835EN300-65257BCP30392Dasatinib Impurity RDIMETHYLBENZYLCARBINYLPROPIONATE

데이터베이스 식별자

CAS
4994-86-9
PubChem CID
424447
DTXSID
DTXSID40329848
EC Number
800-409-1
Nikkaji
J526.186D

물성

구조 계산 물성

XLogP
1.6
극성 표면적
25.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8

물리화학적 성질

녹는점
55 to · 55.0 to 59.0 °C
끓는 점
168 °C · 168°C(lit.)
밀도
1.234 · 1.234±0.06 g/cm3(Predicted)
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태
powder to crystal
산도 계수 (pKa)
0.47 · 0.47±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 6 reports by companies from 5 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

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (83.3%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (33.3%)；STOT SE 3 (50%)

안전 데이터

HS 번호
2933599590
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Chloro-2-methylpyrimidine is a reagent in the preparation of (pyridylmethyl)-/(pyrimidin-4-ylmethyl)-dihydroquinolines as antagonists against CXCR4.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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