5-Nitrofurfural (HCID 12774)

개요

5-Nitrofurfural is a member of furans and a C-nitro compound.

이름 및 식별자

우선 이름: 5-Nitrofurfural
IUPAC: 5-nitrofuran-2-carbaldehyde
영어명: 5-Nitrofurfural
분자식: C5H3NO4
분자량: 141.08

이름 및 동의어

5-NITRO-2-FURALDEHYDE5-Nitrofurfural698-63-55-NitrofurfuraldehydeNitrofurfural5-Nitro-2-furfural2-Furancarboxaldehyde, 5-nitro-5-Nitro-2-furancarboxaldehyde2-Furaldehyde, 5-nitro-Furfural, 5-nitro-5-NitrofuraldehydeXXX18AU0Z3

이름 더 보기

AKOS B0042445-Nitrofurural5-nitro-furfuraNiftyer Impurity 7Nitrofuraldehyde,97%

NSC-5574NSC-111144DTXSID30220097RefChem:103254DTXCID30142588211-816-35-nitrofuran-2-carbaldehydeC5H3NO4

데이터베이스 식별자

CAS: 698-63-5
PubChem CID: 12774
DTXSID: DTXSID30220097
ChEMBL: CHEMBL351937
ChEBI: CHEBI:34459
UNII: XXX18AU0Z3
EC Number: 211-816-3
Nikkaji: J60.118G

물성

구조 계산 물성

XLogP: 1
극성 표면적: 76 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 152

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

LogP1.01

Color/FormPALE YELLOW IN PETROLEUM ETHER

SolubilitySLIGHTLY SOL IN WATER, SOL IN PETROLEUM ETHER

Boiling Point128-132 °C @ 10 MM HG

Melting Point35-36 °C

물리화학적 성질

녹는점: 37 · 37-39 °C(lit.)
끓는 점: 121 °C10 · 121 °C10 mm Hg(lit.)
밀도: 1.349 g/mL · 1.349 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.59(lit.)
인화점: 92 °F · 92 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 결정질 저융점 고체
색상: 노란색에서 갈색으로
수용성: 난용성
BRN: 120539 · 120539
InChI: 1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKey: SXINBFXPADXIEY-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(o1)[N+]([O-])=O
NIST: 2 · 2-Furancarboxaldehyde, 5-nitro-(698-63-5)

화학적 성질

Yellow to brown crystalline low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (90%): Flammable solid [Danger Flammable solids]

P203, P210, P240, P241, P280, P318, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24617

5-Nitrofurfural: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Sol. 2 (90%)

독성 정보

Non-Human Toxicity Excerpts · 5건

MUTAGENICITY: MUTATION RESEARCH 76: 169 (1980). ESCHERICHIA COLI WP2 - REVERSE MUTATION STUDIES: NEGATIVE.

A BREAKDOWN PRODUCT, 5-NITRO-2-FURALDEHYDE, LIBERATED FROM FURADANTIN & FUROXONE, INDUCED MASS MUTATIONS IN BOTH DIVIDING & NONDIVIDING CELLS OF EUGLENA GRACILIS.

5-NITRO-2-FURALDEHYDE WAS MUTAGENIC FOR MYCOBACTERIUM PHLEI, THE EFFECT BEING MEASURED BY INDUCTION OF REVERSIONS IN AUXOTROPHIC STRAINS, OF MUTANTS RESISTANT TO ISONIAZID, & OF PHENOTYPIC CHANGES.

5 -NITRO-2-FURALDEHYDE SELECTIVELY INFLUENCED THE MITOTIC ACTIVITY OF ONION & BROAD BEAN CELLS. IT WAS ALSO MUTAGENIC IN PLANT CELLS, RESULTING IN MITOTIC & CHROMOSOMAL ABERRATIONS.

A BREAKDOWN PRODUCT, 5-NITRO-2-FURALDEHYDE, LIBERATED FROM FURADANTIN & FUROXONE, INDUCED REVERSE MUTATIONS IN AUXOTROPHIC MYCOBACTERIUM PHLEI.

안전 데이터

wgk: 3
rtecs: LT7200000
ridadr: UN 1325 4.1/PG 2
HS 번호: 29321900
risk_code: 11-68-10
hazard_code: F,Xi,Xn
safety_code: 16-36/37
포장분류: III
위험 등급: 3.2
위험 참고 사항: Irritant
Hazard Classifications: Flam. Sol. 1
스토리지 클래스: 4.1B - Flammable solid hazardous materials
유해 물질 데이터: 698-63-5(Hazardous Substances Data)

화학 및 산업

용도 및 제조

UsesCHEM INT FOR NITROFURAN ANTIBACTERIAL DRUG PRODUCTS

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 2건

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Methods of ManufacturingNITRATION OF FURFURAL FOLLOWED BY CONVERSION OF THE INTERMEDIATE 2-ACETOXY-2,5-DIHYDROFURAN WITH PYRIDINE

응용 분야 · 2건

개요Nitrofuran carboxaldehyde (NFC) is used to synthesize many drugs and chemicals such as nifuraldezone, puraguanidine, nifuratrone, furmethoxadone, etc. Furfural the main structure of NFC was determined many years ago to be a byproduct of formic acid synthesis. Furfural is produced from agricultural byproducts such as sugarcane bagasse and corncobs.

용도5-Nitro-2-furaldehyde was used in the synthesis of a series of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives. . It was also used in the synthesis of modified mesoporous silica (MCM-41). 5-Nitrofurfural can be commonly used as pharmaceutical intermediates.

제조 방법

생산 방법Furfural is nitrated in acetic anhydride solution at 25 – 40 ℃ to give the diacetate [92-55-7], which is purified by recrystallization from isopropanol and then used directly for the production of derived drugs.

공급사50 곳

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

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

연결된 노트

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5-Nitrofurfural

기본 정보

개요