4-(디플루오로메톡시)니트로벤젠

4-(Difluoromethoxy)nitrobenzene

HCID 2737014CAS 1544-86-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=[N+]([O-])c1ccc(OC(F)F)cc1
InChIKey
SVGGBARCOQPYMV-UHFFFAOYSA-N
분자식
C7H5F2NO3
평균 분자량
189.12 g/mol
단동위원소 질량
189.02374935

이름 및 식별자

우선 이름
4-(Difluoromethoxy)nitrobenzene
IUPAC
1-(difluoromethoxy)-4-nitrobenzene
현지명
4-(디플루오로메톡시)니트로벤젠
영어명
4-(Difluoromethoxy)nitrobenzene
분자식
C7H5F2NO3
분자량
189.12

이름 및 동의어

4-(Difluoromethoxy)nitrobenzene1544-86-11-(difluoromethoxy)-4-nitrobenzeneSVGGBARCOQPYMV-UHFFFAOYSA-DTXSID30371770RefChem:515845DTXCID30322803633-854-3InChI=1/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H1-(difluoromethoxy)-4-nitro-benzeneMFCD000850094-(difluoromethoxy)-1-nitrobenzene
이름 더 보기
4-(디플루오로메톡시)니트로벤젠BUTTPARK 45\10-48α,α-Difluoro-p-nitroanisoleAnisole,α,α-difluoro-p-nitro-p-NitrophenyldifluoromethyletherDifluoromethyl4-nitrophenylether4-(Difluoromethoxy)nitrobenzene98%4-(Difluoromethoxy)nitrobenzen, 98%
Benzene, 1-(difluoromethoxy)-4-nitro-4-difluoromethoxynitrobenzeneSCHEMBL4918677SCHEMBL6194967YQF09431-Difluoromethoxy-4-nitro-benzene4-Nitro-alpha,alpha-difluoroanisoleSBB064885

데이터베이스 식별자

CAS
1544-86-1
PubChem CID
2737014
DTXSID
DTXSID30371770
EC Number
633-854-3
Nikkaji
J1.191.310E

물성

구조 계산 물성

XLogP
3
극성 표면적
55.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

녹는점
37 · 37-40 °C (lit.)
끓는 점
108 °C · 108 °C
밀도
1.384 · 1.384±0.06 g/cm3(Predicted)
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C
물리적 상태
powder to lump

화학적 성질

Pale Yellow Crystal.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Acute Tox. 4 (10.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10.9%)；STOT SE 3 (89.1%)

안전 데이터

wgk
3
ridadr
3276
HS 번호
29049090
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36/37

화학 및 산업

응용 분야 · 2건

용도4-(Difluoromethoxy)nitrobenzene is an industrial chemical that can be used to make 4-fluoro-3-pyridinol (F3P), a compound that has potential as a new drug for the treatment of cancer. The synthesis of F3P begins with the reaction of 4-(difluoromethoxy)nitrobenzene and potassium hydroxide in methanol, which yields 4-fluoro-3-hydroxypyridine. This product is then reacted with ammonia gas and pyridine to yield F3P. The final step involves heating the product at high temperature with nitric acid, which yields nitrobenztriazole.

일반 설명4-(Difluoromethoxy)nitrobenzene (1-(difluoromethoxy)-4-nitrobenzene) can be synthesized by reacting 4-nitrophenol with KOH, water and methanol.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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