2-Chloro-5-(methylthio)pyrimidine

HCID 21979532

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 115581-36-7
표준 SMILES: CSc1cnc(Cl)nc1
InChIKey: UGWJTFHCCZHCDI-UHFFFAOYSA-N
분자식: C5H5ClN2S
평균 분자량: 160.63 g/mol
단동위원소 질량: 159.986197

이름 및 식별자

우선 이름: 2-Chloro-5-(methylthio)pyrimidine
IUPAC: 2-chloro-5-methylsulfanylpyrimidine
영어명: 2-chloro-5-(Methylthio)pyriMidine
분자식: C5H5ClN2S
분자량: 160.62

이름 및 동의어

2-chloro-5-(methylthio)pyrimidine115581-36-7RefChem:469230889-029-5Pyrimidine, 2-chloro-5-(methylthio)-2-chloro-5-methylsulfanylpyrimidine2-chloro-5-methylsulfanyl-pyrimidineMFCD220449442-chloro-5-methylthiopyrimidine2-chloro-5-(methylsulfanyl)pyrimidineSCHEMBL2148442SCHEMBL2697579

이름 더 보기

2-chloro-5-((methylthio)methyl)pyrimidine

UGWJTFHCCZHCDI-UHFFFAOYSA-N5-methylsulfanyl-2-chloropyrimidineQEA58136AKOS022187831DS-8793SB55492DA-26504SY162503

데이터베이스 식별자

CAS: 115581-36-7
PubChem CID: 21979532
EC Number: 889-029-5

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 51.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 83

물리화학적 성질

끓는 점: 308.3 · 308.3±15.0 °C(Predicted)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.78 · -1.78±0.22(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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.；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.