4,6-디메틸-2-메틸술포닐피리미딘

4,6-Dimethyl-2-methylsulfonylpyrimidine

HCID 2772382

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35144-22-0
표준 SMILES: Cc1cc(C)nc(S(C)(=O)=O)n1
InChIKey: ZHPSNGCLCHWTRG-UHFFFAOYSA-N
분자식: C7H10N2O2S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.04629856

이름 및 식별자

우선 이름: 4,6-Dimethyl-2-methylsulfonylpyrimidine
IUPAC: 4,6-dimethyl-2-methylsulfonylpyrimidine
현지명: 4,6-디메틸-2-메틸술포닐피리미딘
영어명: 4,6-Dimethyl-2-methylsulfonylpyrimidine
분자식: C7H10N2O2S
분자량: 186.23

이름 및 동의어

4,6-Dimethyl-2-methylsulfonylpyrimidine4,6-dimethyl-2-(methylsulfonyl)pyrimidinepyrimidine, 4,6-dimethyl-2-(methylsulfonyl)-85VAF5UF4FDTXSID10378242RefChem:508129DTXCID70329270609-077-035144-22-02-Methanesulfonyl-4,6-dimethylpyrimidineMFCD037882862-METHANESULFONYL-4,6-DIMETHYL-PYRIMIDINE

이름 더 보기

4,6-디메틸-2-메틸술포닐피리미딘DLMSPVITAS-BB TBB0002424,6-Dimethyl-2-methyAmbrisentan Impurity 64,6-Dimethyl-2-(methylsulfonyl4,6-dimethyl-2-mesyl-pyrimidine6-DiMethyl-2-MethylsulfonylpyriMidine4,6-DIMETHY-2-METHYLSULFONYLPYRIMIDINE4,6-diMethyl-2-Methylsulfonyl pyridine

CS-W0030982-methane-sulfonyl-4,6-dimethyl-pyrimidine4,6-dimethyl-2-(methylsulphonyl)pyrimidineEN300-34528484,6-dimethyl-2-methylsulfonyl-pyrimidine2-(Methylsulfonyl)-4,6-dimethylpyrimidine; 2-Methanesulfonyl-4,6-dimethylpyrimidineFT-0639232UNII-85VAF5UF4F

데이터베이스 식별자

CAS: 35144-22-0
PubChem CID: 2772382
DTXSID: DTXSID10378242
UNII: 85VAF5UF4F
EC Number: 609-077-0
Nikkaji: J1.186.438D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 235

물리화학적 성질

녹는점: 84 · 84-86°C
끓는 점: 358.3 · 358.3±45.0 °C(Predicted)
밀도: 1.239 · 1.239
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): -1.84 · -1.84±0.30(Predicted)
물리적 상태: 결정질 고체
색상: 적갈색
InChIKey: ZHPSNGCLCHWTRG-UHFFFAOYSA-N

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4,6-Dimethyl-2-(methylsulfonyl)pyrimidine is a reactant used in the preparation of [(dimethylpyrimidinyl)oxy]diphenyl butyric acid derivatives as endothelin receptor antagonists.