4-클로로-3-니트로벤조트리플루오르화물
4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene
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기본 정보
- CAS
121-17-5- 표준 SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl- InChIKey
TZGFQIXRVUHDLE-UHFFFAOYSA-N- 분자식
- C7H3ClF3NO2
- 평균 분자량
- 225.55 g/mol
- 단동위원소 질량
- 224.98044068
개요
3-nitro-4-chlorobenzotrifluoride appears as a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene
- IUPAC
- 1-chloro-2-nitro-4-(trifluoromethyl)benzene
- 현지명
- 4-클로로-3-니트로벤조트리플루오르화물
- 영어명
- 4-Chloro-3-nitrobenzotrifluoride
- 분자식
- C7H3ClF3NO2
- 분자량
- 225.55
이름 및 동의어
Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotolueneRefChem:984474-CHLORO-3-NITROBENZOTRIFLUORIDE121-17-51-Chloro-2-nitro-4-(trifluoromethyl)benzene3-Nitro-4-chlorobenzotrifluoride2-Chloro-5-(trifluoromethyl)nitrobenzene2-Nitro-4-trifluoromethylchlorobenzeneCMNT3-Nitro-4-chlorotrifluoromethylbenzene4-Chloro-3-nitro-a,a,a-trifluorotoluene
이름 더 보기
4-클로로-3-나이트로벤조트리플루오르화물4-클로로-3-니트로벤조트리플루오르화물MNT-Cl4-chloro-1-trifluoTIMTEC-BB SBB009923oro-3-nitrobenzotrifLRegorafenib impurity 118Chloro-3-nitrobenzotrifluor4-chloro-3-nitro-benzotrifluorid
4-Chloro-3-nitrobenzylidyne fluoride4-Chloro-3-nitro-1-(trifluoromethyl)benzene4-Chloro-3-nitro-alpha,alpha,alpha-trifluorotolueneNSC 8760Benzotrifluoride, 4-chloro-3-nitro-2-Chloro-5-trifluoromethylnitrobenzeneDTXSID2024799MFCD00007084
물성
구조 계산 물성보충 중
- XLogP
- 2.8
- 극성 표면적
- 45.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 228
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.542 at 59.9 °F (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (NTP, 1992)
Boiling Point432.7 °F at 760 mmHg (NTP, 1992)
Melting Point27.5 °F (NTP, 1992)
Physical Description
3-nitro-4-chlorobenzotrifluoride appears as a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Colorless to dark-colored liquid; [CAMEO] Yellow liquid;
물리화학적 성질
- 녹는점
- -2 °C · -2 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 02-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5781
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.
Hazards Summary
A mutagen and mild eye irritant; Causes somnolence, tremor, and ataxia in lethal-dose feeding studies of rats; [RTECS] A skin, eye, and mucous membrane irritant; Highly toxic by inhalation, ingestion, and skin absorption; [CAMEO] An irritant; [MSDSonline]
DOT ID and Guide2307 152
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile
화학 및 산업
용도 및 제조
Uses
Used as a chemical intermediate for herbicides; Not commercially produced in the US; [HSDB]
CHEM INT FOR HERBICIDES, EG, FLUORODIFEN
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1978) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1979) NOT PRODUCED COMMERCIALLY IN US
Methods of ManufacturingREACTION OF 4-CHLOROBENZOTRICHLORIDE WITH ANHYDROUS HYDROGEN FLUORIDE UNDER ATMOSPHERIC OR HIGH PRESSURE CONDITIONS, FOLLOWED BY NITRATION OF THE RESULTING 4-CHLOROBENZOTRIFLUORIDE
General Manufacturing InformationBenzene, 1-chloro-2-nitro-4-(trifluoromethyl)-: ACTIVE
응용 분야
일반 설명4-Chloro-3-nitrobenzotrifluoride is a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
상·하류 제품 정보
상류 원료
관련 반응
130건
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