2,4-Dichloro-7-methylthieno(3,2-d)pyrimidine

HCID 7147064CAS 35265-83-9

기본 정보

표준 SMILES: Cc1csc2c(Cl)nc(Cl)nc12
InChIKey: WUXYWALKGQDXFI-UHFFFAOYSA-N
분자식: C7H4Cl2N2S
평균 분자량: 219.09 g/mol
단동위원소 질량: 217.94722449

이름 및 식별자

우선 이름: 2,4-Dichloro-7-methylthieno(3,2-d)pyrimidine
IUPAC: 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine
영어명: 2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine
분자식: C7H4Cl2N2S
분자량: 219.09

이름 및 동의어

2,4-dichloro-7-methylthieno[3,2-d]pyrimidine35265-83-9DTXSID504280532,4-Dichloro-7-methylthieno(3,2-d)pyrimidineRefChem:246310DTXCID50378887888-318-3MFCD080612532,4-dichloro-7-methyl-thieno[3,2-d]pyrimidineSCHEMBL358761CS-M2510AKOS015919887

이름 더 보기

2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine-3Thieno[3,2-d]pyriMidine, 2,4-dichloro-7-Methyl-2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine ISO 9001：2015 REACH

PB14528AC-30315DS-11392SY067296AMY55432,4-dichloro-7-me24-Dichloro-7-methylthieno[32-d]pyrimidine2,4-dichloro-7-metylthieno[3,2-d]pyrimidine

데이터베이스 식별자

CAS: 35265-83-9
PubChem CID: 7147064
DTXSID: DTXSID50428053
EC Number: 888-318-3

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 181

물리화학적 성질

끓는 점: 293 ℃ · 293℃
밀도: 1.568 · 1.568
인화점: 131 ℃ · 131℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -0.48 · -0.48±0.40(Predicted)
InChI: InChI=1S/C7H4Cl2N2S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3
InChIKey: WUXYWALKGQDXFI-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=C2SC=C(C)C2=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.