2-브로모페닐이소시아네이트

2-Bromophenyl isocyanate

HCID 137097CAS 1592-00-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C=Nc1ccccc1Br
InChIKey: GOOVAYJIVMBWPP-UHFFFAOYSA-N
분자식: C7H4BrNO
평균 분자량: 198.02 g/mol
단동위원소 질량: 196.94762585

이름 및 식별자

우선 이름: 2-Bromophenyl isocyanate
IUPAC: 1-bromo-2-isocyanatobenzene
현지명: 2-브로모페닐이소시아네이트
영어명: 2-BROMOPHENYL ISOCYANATE
분자식: C7H4BrNO
분자량: 198.02

이름 및 동의어

2-Bromophenyl isocyanate1592-00-31-Bromo-2-isocyanatobenzeneDTXSID10166606RefChem:467293DTXCID7089097627-309-92-BROMOPHENYLISOCYANATEMFCD00001995Isocyanic Acid 2-Bromophenyl Ester2-bromobenzenisocyanateBenzene, 1-bromo-2-isocyanato-

이름 더 보기

2-브로모페닐이소시아네이트이소시안산브르모페닐에스테르2-브로모페닐 아이소사이아네이트2-BromophenylIsocyanate>1-Bromo-2-isocyanatobenzene2-Bromophenyl isocyanate,97%2-Bromophenyl isocyanate 97%2-BroMophenyl isocyanate, 97% 1GR1-bromo-2-isocyanatobenzene(SALTDATA: FREE)

2bromophenylisocyanate2-bromophenylisocynateo-bromophenyl isocyanate2-bromo phenylisocyanate2-bromo phenyl isocyanateSCHEMBL932201-Bromo-2-isocyanatobenzene #2-Bromophenyl isocyanate, 97%

데이터베이스 식별자

CAS: 1592-00-3
PubChem CID: 137097
DTXSID: DTXSID10166606
EC Number: 627-309-9
Nikkaji: J236.419K

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 154

물리화학적 성질

끓는 점: 91 · 91-92 °C (2 mmHg)
밀도: 1.6 · 1.6
굴절률: 1.582 · 1.582-1.586
인화점: 107 °C · 107 °C
저장 조건: Refrigerator (+4°C)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.601 · 1.601.607
BRN: 3588447 · 3588447
InChI: 1S/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey: GOOVAYJIVMBWPP-UHFFFAOYSA-N
SMILES: Brc1ccccc1N=C=O

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, 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 CategoriesAcute Tox. 4 (89.1%)

안전 데이터

wgk: 3
ridadr: 2206
HS 번호: 29291090
risk_code: 42-36/37/38-20/21/22-23-22
hazard_code: Xn,T,Xi
safety_code: 36/37/39-26-23-45
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic/Irritant
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도2-Bromophenyl isocyanate has been used in the synthesis of:α-cyclodextrin-based size-complementary [3] rotaxane with an alkylene axledihydroindole urea derivatives3-carboxamide substituted diphenylurea