1-Chloro-3-isothiocyanato-2-methylbenzene

HCID 140504CAS 19241-35-1

기본 정보

표준 SMILES: Cc1c(Cl)cccc1N=C=S
InChIKey: ZXEZATIRZLJXFU-UHFFFAOYSA-N
분자식: C8H6ClNS
평균 분자량: 183.66 g/mol
단동위원소 질량: 182.9909481

이름 및 식별자

우선 이름: 1-Chloro-3-isothiocyanato-2-methylbenzene
IUPAC: 1-chloro-3-isothiocyanato-2-methylbenzene
영어명: 3-CHLORO-2-METHYLPHENYL ISOTHIOCYANATE
분자식: C8H6ClNS
분자량: 183.66

이름 및 동의어

1-chloro-3-isothiocyanato-2-methylbenzeneRefChem:431337671-002-219241-35-13-Chloro-2-Methylphenyl Isothiocyanate3-Chloro-2-methylphenylisothiocyanateBenzene, 1-chloro-3-isothiocyanato-2-methyl-MFCD00022056Isothiocyanic acid, 3-chloro-o-tolyl ester3-Chloro-o-tolyl ester Isothiocyanic acid,3-Chloro-2-methylphenyl isothiocyanate3-chloro-2-methylbenzenisothiocyanateBenzene,1-chloro-3-isothiocyanato-2-methyl-

이름 더 보기

3-Chloro-2-methylphenyl isothiocyate, 98%3-chloride-2-methyl benzene isothiocyanate3-Chloro-2-methylphenyl isothiocyanate ,97%3-Chloro-2-methylphenyl isothiocyanate ,93%3-Chloro-o-tolyl ester Isothiocyanic acid

NSC134676SCHEMBL945215DTXSID40172831ZXEZATIRZLJXFU-UHFFFAOYSA-NAKOS BBS-00000579SBB0384433-chloro-2-methylphenyl-isothiocyanateAKOS000268591

데이터베이스 식별자

CAS: 19241-35-1
PubChem CID: 140504
DTXSID: DTXSID40172831
EC Number: 671-002-2

물성

구조 계산 물성

XLogP: 4.3
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: 177

물리화학적 성질

끓는 점: 99 °C · 99 °C(Press: 2-3 Torr)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.