5-클로로-3-(클로로메틸)-1,2,4-티아디아졸

5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole

HCID 332610CAS 74461-64-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCc1nsc(Cl)n1
InChIKey: FFFMIFUBJZBTCG-UHFFFAOYSA-N
분자식: C3H2Cl2N2S
평균 분자량: 169.03 g/mol
단동위원소 질량: 167.9315746

이름 및 식별자

우선 이름: 5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole
IUPAC: 5-chloro-3-(chloromethyl)-1,2,4-thiadiazole
현지명: 5-클로로-3-(클로로메틸)-1,2,4-티아디아졸
영어명: 5-CHLORO-3-(CHLOROMETHYL)-1,2,4-THIADIAZOLE
분자식: C3H2Cl2N2S
분자량: 169.03

이름 및 동의어

5-chloro-3-(chloromethyl)-1,2,4-thiadiazoleDTXSID20318417RefChem:534669DTXCID10269540692-435-374461-64-65-Chloro-3-chloromethyl-[1,2,4]thiadiazoleMFCD00096470NSC330684SCHEMBL352774FFFMIFUBJZBTCG-UHFFFAOYSA-NSTR07215

이름 더 보기

5-클로로-3-(클로로메틸)-1,2,4-티아디아졸3-Chloromethyl-5-chloro-1,2,4-thiadiazole1,2,4-Thiadiazole, 5-chloro-3-(chloromethyl)-1,2,4-Thiadiazole,5-chloro-3-(chloromethyl)-(7CI,9CI)

SBB088226AKOS006230637NSC-330684SY1925875-chloro-3-chloromethyl-1,2,4-thiadiazole3-chloromethyl-5-chloro-[1,2,4]thiadiazoleEN300-914983-chloromethyl-5-chloro-[1,2,4]-thiadiazole

데이터베이스 식별자

CAS: 74461-64-6
PubChem CID: 332610
DTXSID: DTXSID20318417
EC Number: 692-435-3

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 81

물리화학적 성질

끓는 점: 55 °C · 55°C 1mm
밀도: 1.551 g/mL · 1.551 g/mL at 25 °C
굴절률: 20 · n20/D1.561
인화점: 110 ℃ · >110℃
산도 계수 (pKa): -1.83 · -1.83±0.10(Predicted)
물리적 상태: liquid
InChI: 1S/C3H2Cl2N2S/c4-1-2-6-3(5)8-7-2/h1H2
InChIKey: FFFMIFUBJZBTCG-UHFFFAOYSA-N
SMILES: ClCc1nsc(Cl)n1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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.