2,4-Difluorophenyl isocyanate

HCID 593258CAS 59025-55-7

기본 정보

표준 SMILES: O=C=Nc1ccc(F)cc1F
InChIKey: HNENEALJPWJWJY-UHFFFAOYSA-N
분자식: C7H3F2NO
평균 분자량: 155.1 g/mol
단동위원소 질량: 155.01827016

이름 및 식별자

우선 이름: 2,4-Difluorophenyl isocyanate
IUPAC: 2,4-difluoro-1-isocyanatobenzene
영어명: 2,4-Difluorophenyl isocyanate
분자식: C7H3F2NO
분자량: 155.1

이름 및 동의어

2,4-Difluorophenyl isocyanate59025-55-7Benzene, 2,4-difluoro-1-isocyanato-DTXSID40343928RefChem:82428DTXCID90295004628-125-1HNENEALJPWJWJY-UHFFFAOYSA-N2,4-Difluoro-1-isocyanatobenzene2,4-Difluorophenylisocyanate2,4-difluoro-1-isocyanato-benzeneMFCD00001997

이름 더 보기

2,4-DifLSBB00653736952_FLUKAZINC00164769250759_ALDRICHTIMTEC-BB SBB0065372,4-Difluorophenyl iDifluorophenyl isocyanatDIFLUOROPHENYLISO-CYANATE2,4-Diflurophenyl isocyanate

Isocyanic Acid 2,4-Difluorophenyl EsterSCHEMBL765962,4-difluoro phenyl isocyanate2,4-difluoro-1-isocyanato benzene2,4-DifluBenzene, 2,4-difluoro-1-isocyanato- (9CI)2,4-diflurophenylisocyanate2,4 difluorophenyl isocyanate

데이터베이스 식별자

CAS: 59025-55-7
PubChem CID: 593258
DTXSID: DTXSID40343928
EC Number: 628-125-1
Nikkaji: J586.173J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 179

물리화학적 성질

끓는 점: 42 °C/6 · 42 °C/6 mmHg (lit.)
밀도: 1.309 g/mL · 1.309 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.490(lit.)
인화점: 50 °C · 50 °C
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 2831577 · 2831577
InChI: 1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey: HNENEALJPWJWJY-UHFFFAOYSA-N
SMILES: Fc1ccc(N=C=O)c(F)c1

화학적 성질

Clear colorless to faintly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2478 3/PG 3
HS 번호: 29291090
risk_code: 20/21/22-36/37/38-42-10
hazard_code: Xn,T,Xi
safety_code: 26-36/37-45-36/37/39-16
포장분류: II
위험 등급: 6.1
F 고인화성물질: 10-19-21
위험 참고 사항: Toxic/Lachrymatory/Moisture Sensitive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도2,4-Difluorophenyl isocyanate has been used:in the synthesis of N,N-disubstituted S,N′-diarylisothioureasas blocking reagent, to modify the hydroxyl, amine and epoxide functional groups of cured MY720/DDS epoxy thin films