Benzoxazole (HCID 9228)

개요

1,3-benzoxazole is a benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5. It is a mancude organic heterobicyclic parent and a member of 1,3-benzoxazoles.

이름 및 식별자

우선 이름: Benzoxazole
IUPAC: 1,3-benzoxazole
현지명: 벤나옥사졸
영어명: Benzoxazole
분자식: C7H5NO
분자량: 119.12

이름 및 동의어

BENZOXAZOLE273-53-01,3-Benzoxazole1-Oxa-3-aza-1H-indene1-Oxa-3-azaindeneBenzoxazolesNSC-3982CHEBI:38814J233Y1I55IDTXSID8059768RefChem:388827DTXCID5037654

이름 더 보기

벤나옥사졸벤즈옥사졸벤족사졸BENZOOXAZOLEbenzoxazolineBenzothiazoieBenzoxazole,97%Benzoxazole 98%

CHEBI:46700205-988-9BENZO[D]OXAZOLEUSAF EK-5017NSC 3982MFCD000057651,3-Benzoxazole #AI3-05743

데이터베이스 식별자

CAS: 273-53-0
PubChem CID: 9228
DTXSID: DTXSID8059768
ChEMBL: CHEMBL451894
ChEBI: CHEBI:38814
UNII: J233Y1I55I
EC Number: 205-988-9
Nikkaji: J55.474J

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesFusion temperature

LogP1.59

Vapor Pressure0.24 [mmHg]

Physical DescriptionWhite solid; mp = 28-31 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 27 · 27-30 °C(lit.)
끓는 점: 182 °C · 182 °C(lit.)
밀도: 1 · 1,175 g/cm3
굴절률: 1.5594 · 1.5594
인화점: 137 °F · 137 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.17 · 1.17±0.10(Predicted)
물리적 상태: 액체
색상: 투명한 노란색에서 밝은 갈색-주황색까지
수용성: 불용성
BRN: 109467 · 109467
InChI: 1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChIKey: BCMCBBGGLRIHSE-UHFFFAOYSA-N
SMILES: c1ccc2ocnc2c1
LogP: 1.59 · 1.590
NIST: Benzoxazole(273-53-0)
EPA: Benzoxazole (273-53-0)

화학적 성질

COLORLESS TO YELLOW CRYST. LOW MELTING SOLID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (10%): Flammable solid [Danger Flammable solids]

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

Aggregated GHS information provided per 60 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Methylbenzoxazole.

Hazard Classes and CategoriesFlam. Sol. 2 (10%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DM4375000
ridadr: 1325
독성: LD50 orl-mus: 750 mg/kg MDCHAG 4(1),336,64
HS 번호: 29349990
risk_code: 22-36/37/38-11
hazard_code: Xn,F,Xi
safety_code: 26-36/37/39-37/39-36
포장분류: III
위험 등급: 4.1
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoxazole: ACTIVE

응용 분야 · 1건

용도Benzoxazole derivatives serve as precursors for synthesizing heterocyclic compounds with anticorrosive and complexing properties, including N-substituted-3-methyl-1-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-amines from 2-hydrazinyl-5-methyl-1,3-benzoxazole and 3-aminocrotonitrile, as well as 2-[(4-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[phenylmethylidene]acetohydrazides from reactions with aromatic aldehydes[1].

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

추가 설명

정의ChEBI: A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.

연결된 노트

불러오는 중…

벤나옥사졸

기본 정보

개요