CAS 135805-96-8 2-Methyl-4-nitrophenyl isothiocyanate (HCID 145621)

기본 정보

CAS: 135805-96-8
표준 SMILES: Cc1cc([N+](=O)[O-])ccc1N=C=S
InChIKey: JEWJPETZSUMXII-UHFFFAOYSA-N
분자식: C8H6N2O2S
평균 분자량: 194.21 g/mol
단동위원소 질량: 194.01499843

이름 및 식별자

우선 이름: 2-Methyl-4-nitrophenyl isothiocyanate
IUPAC: 1-isothiocyanato-2-methyl-4-nitrobenzene
현지명: 2-메틸-4-니트로페닐이소티오시아네이트
영어명: 2-METHYL-4-NITROPHENYL ISOTHIOCYANATE
분자식: C8H6N2O2S
분자량: 194.21

이름 및 동의어

2-Methyl-4-nitrophenyl isothiocyanate135805-96-8DTXSID90159531RefChem:88139DTXCID0082022JEWJPETZSUMXII-UHFFFAOYSA-N1-Isothiocyanato-2-methyl-4-nitrobenzeneMFCD00060542SCHEMBL7121492ALBB-0030922-methyl-4-nitrobenzenisothiocyanate2-methyl4-nitrophenyl isothiocyanate

이름 더 보기

2-메틸-4-니트로페닐이소티오시아네이트2-METHYL-4-NITROPHENYL2-Methyl-4-nitrophenyl isothiocyate, 98%Benzene, 1-isothiocyanato-2-methyl-4-nitro-Benzene, 1-isothiocyanato-2-methyl-4-nitro- (9CI)

2Methyl-4-nitrophenyl isothiocyanateBBL017960STK502590AKOS0051710762-methyl-4-nitro-phenyl isothiocyanate2-methyl-4-nitrophenyl iso thiocyanateFS-4670SY326168

데이터베이스 식별자

CAS: 135805-96-8
PubChem CID: 145621
DTXSID: DTXSID90159531
EC Number: 671-347-9

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 90.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 245

물리화학적 성질

녹는점: 82 °C · 82 °C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.