브로모나이트로메테인

Bromonitromethane

HCID 68423CAS 563-70-2

기본 정보

표준 SMILES
O=[N+]([O-])CBr
InChIKey
DNPRVXJGNANVCZ-UHFFFAOYSA-N
분자식
Br.C.H2.N.O2
평균 분자량
139.94 g/mol
단동위원소 질량
138.9268904

개요

structure in first source

이름 및 식별자

우선 이름
Bromonitromethane
IUPAC
bromo(nitro)methane
현지명
브로모나이트로메테인
영어명
Bromonitromethane
분자식
CH2BrNO2
분자량
139.94

이름 및 동의어

Bromonitromethane563-70-2Methane, bromonitro-NitrobromomethaneEG63P9EUR0DTXSID7060338RefChem:570375DTXCID3042051209-258-0bromo(nitro)methaneCH2BrNO2Bromonitromethane, tech
이름 더 보기
브로모나이트로메테인255858_ALDRICHbromonitro-methanNitromethyl bromideBromonitromethane, tech.bromonitromethane CH2BrNO2Bromonitromethane, 90%,tech.
1-bromonitromethanemonobromonitromethaneMFCD00007401CHEMBL2335229.ALPHA.-BROMONITROMETHANEDNPRVXJGNANVCZ-UHFFFAOYSA-Bromonitromethane Solution in Acetone, 100ug/mLEINECS 209-258-0

데이터베이스 식별자

CAS
563-70-2
PubChem CID
68423
DTXSID
DTXSID7060338
ChEMBL
CHEMBL2335229
UNII
EG63P9EUR0
EC Number
209-258-0
Nikkaji
J435I

물성

구조 계산 물성

XLogP
0.9
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
5

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
Density2.007 @25 °C

물리화학적 성질

녹는점
-28 °C · -28 °C
끓는 점
146 · 146-148 °C/750 mmHg (lit.)
밀도
2.007 g/mL · 2.007 g/mL at 25 °C (lit.)
굴절률
1.485 · 1.485-1.495
인화점
4 °C · 4°C
저장 조건
2 · Storage temp. 2-8°C
화학적 성질 · 1건

Bromonitromethane is a clear yellow liquid, It is a strong oxidizing agent with properties similar to nitromethane. Bromonitromethane has been used: in production of various protected α-bromo nitroalkane donors (including Fmoc) for use in Umpolung amide synthesis. in preparation of (Z)-1-bromo-1-nitroalkenes via sodium iodide-catalyzed Henry reaction. in diastereo- and enantioselective cyclopropanation of β,γ-unsaturated a-ketoesters via domino Michael-addition/intramolecular-alkylation strategy.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H272 (97.6%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Methane, bromonitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesOx. Sol. 2 (97.6%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.40 [mg/m3]

4.4 [mg/m3]

26 [mg/m3]

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
PA5360000
ridadr
3098
HS 번호
29049095
risk_code
8-36/37/38-20/21/22

화학 및 산업

용도 및 제조

General Manufacturing InformationMethane, bromonitro-: ACTIVE
응용 분야 · 1건

용도Bromonitromethane has received considerable attention as a one-carbon synthon for the synthesis of a variety of important organic intermediates. Bromonitromethane is a key starting material for the preparation of the broad-spectrum antibiotic trovafloxacin, which contains the interesting 3-azabicyclo[ 3.1.0]hexane ring system. it was used in the synthesis of 2-nitrobenzofuran and 2-nitro-2,3-dihydrobenzofuran-3-ols, nitrobenzo­thio-phenes, and nitrothiazoles, polyfunctionalized nitrocyclopropanes. It has also been utilized in the synthesis of 1-bromo-1-nitroalkan-2-ols and aryl nitromethanes. In addition, it could be used as a bromine donor.

제조 방법 · 1건

Bromonitromethane is commercially available and can also be easily prepared according to the procedures reported by Fishwick et al. A typical procedure is as following: freshly distilled nitromethane was stirred at 0℃ and bromine was dropped in 5 seconds. The resulted bromonitromethane could be used without further purification.

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
西安华瑞致远生物科技有限公司18014474522 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

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27건

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