2-Fluorophenyl isothiocyanate

HCID 97520CAS 38985-64-7

기본 정보

표준 SMILES: Fc1ccccc1N=C=S
InChIKey: OAGDRIUTLPDSMJ-UHFFFAOYSA-N
분자식: C7H4FNS
평균 분자량: 153.18 g/mol
단동위원소 질량: 153.00484835

이름 및 식별자

우선 이름: 2-Fluorophenyl isothiocyanate
IUPAC: 1-fluoro-2-isothiocyanatobenzene
영어명: 2-FLUOROPHENYL ISOTHIOCYANATE
분자식: C7H4FNS
분자량: 153.18

이름 및 동의어

2-Fluorophenyl isothiocyanateo-Fluorophenyl isothiocyanateBenzene, 1-fluoro-2-isothiocyanato-EINECS 254-237-1NSC 129257DTXSID0068153RefChem:87181DTXCID3039587254-237-1OAGDRIUTLPDSMJ-UHFFFAOYSA-N38985-64-71-Fluoro-2-isothiocyanatobenzene

이름 더 보기

TIMTEC-BB SBB0065462-Fluorphenyl isothiocyanate2-FluorophenylIsothiocyanate>1-fluoro-2-isothiocyanato-benzen2-Fluorophenyl isothiocyate, 99%2-Fluorophenyl isothiocyanate 98%2-Fluorophenyl isothiocyanate,98%

2-fluorophenylisothiocyanate1-fluoro-2-isothiocyanato-benzeneMFCD00004800Isothiocyanic Acid 2-Fluorophenyl EsterPHW4HDJ46TNSC-1292572-fluorobenzenisothiocyanateUNII-PHW4HDJ46T

데이터베이스 식별자

CAS: 38985-64-7
PubChem CID: 97520
DTXSID: DTXSID0068153
UNII: PHW4HDJ46T
EC Number: 254-237-1
Nikkaji: J319.884G

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 24 · 24-26°C
끓는 점: 104 °C · 104 °C (12 mmHg)
밀도: 1.248 g/mL · 1.248 g/mL at 25 °C (lit.)
굴절률: 1.6254 · 1.6254
인화점: 97 °C · 97°C
저장 조건: Refrigerator (+4°C)
물리적 상태: 투명한 액체
Specific Gravity: 1.248 · 1.248
색상: 무색~연황색
BRN: 4176581 · 4176581
InChI: 1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey: OAGDRIUTLPDSMJ-UHFFFAOYSA-N
SMILES: Fc1ccccc1N=C=S
EPA: o-Fluorophenyl isothiocyanate (38985-64-7)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.