Thiocyanic acid, chloromethyl ester

HCID 76755CAS 3268-79-9

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기본 정보

표준 SMILES: N#CSCCl
InChIKey: UXUCVNXUWOLPRU-UHFFFAOYSA-N
분자식: C2H2ClNS
평균 분자량: 107.56 g/mol
단동위원소 질량: 106.95964774

개요

Chloromethyl thiocyanate is a member of thiocyanates.

이름 및 식별자

우선 이름: Thiocyanic acid, chloromethyl ester
IUPAC: chloromethyl thiocyanate
영어명: Chloromethyl thiocyanate
분자식: C2H2ClNS
분자량: 107.56

이름 및 동의어

Chloromethyl thiocyanate3268-79-9Thiocyanic acid, chloromethyl esterChloromethylthiocyanogenEINECS 221-883-0NSC 96962BRN 1098487DTXSID801863512-03-00-00124 (Beilstein Handbook Reference)RefChem:189485DTXCID90108842221-883-0

이름 더 보기

ChlormethylthiocyanatChloromethyl thiocyanate, 97+%CHLOROMETHYL THIOCYANATE ISO 9001：2015 REACHThiocyanic acid, chloromethyl ester (7CI,8CI,9CI)

InChI=1/C2H2ClNS/c3-1-5-2-4/h1HChloromethylthiocyanate[(Chloromethyl)sulfanyl]carbonitrilechloro(thiocyanato)methaneThiocyanic acid chloromethyl esterchloro-methyl thiocyanateMFCD00001831CQ59MX5PRK

데이터베이스 식별자

CAS: 3268-79-9
PubChem CID: 76755
DTXSID: DTXSID80186351
ChEBI: CHEBI:192414
UNII: CQ59MX5PRK
EC Number: 221-883-0
Nikkaji: J48.839I

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 49.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 53.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 76 · 76-78 °C15 mm Hg(lit.)
밀도: 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.515(lit.)
인화점: 183 °F · 183 °F
BRN: 1098487 · 1098487

화학적 성질

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (13%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.