1,3-Dichloro-2-isothiocyanatobenzene

HCID 123239CAS 6590-95-0

기본 정보

표준 SMILES: S=C=Nc1c(Cl)cccc1Cl
InChIKey: SUCGVQHNGIQXGD-UHFFFAOYSA-N
분자식: C7H3Cl2NS
평균 분자량: 204.08 g/mol
단동위원소 질량: 202.93632546

이름 및 식별자

우선 이름: 1,3-Dichloro-2-isothiocyanatobenzene
IUPAC: 1,3-dichloro-2-isothiocyanatobenzene
영어명: 2,6-Dichlorophenyl isothiocyanate
분자식: C7H3Cl2NS
분자량: 204.08

이름 및 동의어

2,6-Dichlorophenyl isothiocyanate1,3-Dichloro-2-isothiocyanatobenzeneRefChem:414301623-472-56590-95-02,6-DichlorophenylisothiocyanateBenzene, 1,3-dichloro-2-isothiocyanato-1,3-dichloro-2-isothiocyanato-benzeneMFCD00041056SCHEMBL894400orb31813182,6-dichlorobenzenisothiocyanate

이름 더 보기

2,6-dichlorobenzyl isothiocyanate2,6-Dichlorophenyl isothiocyate, 98%1, 3-Dichloro-2-isothiocyanto benzene2,6-Dichlorophenyl isothiocyanate, 98+%

2,6-dichlorophenyl-isothiocyanateDTXSID70216116GAA590951,3-dichloro-2-thioisocyanato-benzene2,6-dichloro-1-isothiocyanato-benzeneAKOS0014715411,3-Dichloro-2-isothiocyanatobenzene #2,6-Dichlorophenyl isothiocyanate, 97%

데이터베이스 식별자

CAS: 6590-95-0
PubChem CID: 123239
DTXSID: DTXSID70216116
EC Number: 623-472-5
Nikkaji: J813.325E

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 38 · 38-42 °C(lit.)
끓는 점: 122 · 122-124°C 8mm
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: solid
BRN: 639061 · 639061
InChI: 1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey: SUCGVQHNGIQXGD-UHFFFAOYSA-N
SMILES: Clc1cccc(Cl)c1N=C=S

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 3
HS 번호: 2930909899
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 6.1
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2,6-Dichlorophenyl isothiocyanate may be used as a precursor to synthesize 1-(2-aminoethyl)-2-cyano-3-(2,6-dichlorophenyl)guanidine.

일반 설명2,6-Dichlorophenyl isothiocyanate is an isothiocyanate derivative. It has been synthesized by using 2,6-dichlorobenzaldehyde oxime as a starting reagent.