3-니트로벤조트리플로라이드

m-(Trifluoromethyl)nitrobenzene

HCID 7386CAS 98-46-4

기본 정보

표준 SMILES
O=[N+]([O-])c1cccc(C(F)(F)F)c1
InChIKey
WHNAMGUAXHGCHH-UHFFFAOYSA-N
분자식
C7H4F3NO2
평균 분자량
191.11 g/mol
단동위원소 질량
191.01941303

개요

3-nitro-alpha,alpha,alpha-trifluorotoluene is a pale oily liquid. Insoluble in water. (NTP, 1992)

이름 및 식별자

우선 이름
m-(Trifluoromethyl)nitrobenzene
IUPAC
1-nitro-3-(trifluoromethyl)benzene
현지명
3-니트로벤조트리플로라이드
영어명
3-Nitrobenzotrifluoride
분자식
C7H4F3NO2
분자량
191.11

이름 및 동의어

3-Nitrobenzotrifluoride98-46-41-Nitro-3-(trifluoromethyl)benzenem-Nitrobenzotrifluoridem-Nitrotrifluorotoluene3-(Trifluoromethyl)nitrobenzeneBenzene, 1-nitro-3-(trifluoromethyl)-1,3-Nitrobenzotrifluoride3-Trifluoromethylnitrobenzenem-NitrotrifluortoluolUSAF MA-5M-(TRIFLUOROMETHYL)NITROBENZENE
이름 더 보기
3-니트로벤조트리플로라이드3-니트로벤조트리플루오라이드Nitrobenzotrifluorideusafma-5m-Trifluoromethyl3-NitrobenzotrifL3-Nitrobenzotrifluor3-NITROTRIFLUOROTOLUENE
3-Nitro-alpha,alpha,alpha-trifluorotolueneNSC 10313m-Nitrotrifluortoluol [German]CCRIS 2814DTXSID9025794HSDB 4250alpha,alpha,alpha-Trifluoro-3-nitrotolueneEINECS 202-670-1

데이터베이스 식별자

CAS
98-46-4
PubChem CID
7386
DTXSID
DTXSID9025794
ChEMBL
CHEMBL1906156
UNII
GU6L7C6HW3
EC Number
202-670-1
Nikkaji
J38.271J

물성

구조 계산 물성

XLogP
2.6
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
13

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Nitros, Aromatic

Reactive agents - 1st degree

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.62
OdorAROMATIC ODOR
Density · 2건

1.437 at 59.9 °F (NTP, 1992) - Denser than water; will sink

1.437 @ 15.5 °C

Viscosity2.35 CENTIPOISES @ 100 °F

물리화학적 성질

녹는점
-5 °C · -5 °C
끓는 점
200 · 200-205 °C(lit.)
밀도
1.436 g/mL · 1.436 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.472(lit.)
인화점
190 °F · 190 °F
물리적 상태
투명한 액체

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, 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 86 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire HazardsThis compound is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Toxic, also emits highly toxic fumes of NOx and fluorides when heated to decomposition. (NTP, 1992)
Hazards SummaryCauses somnolence and respiratory depression in lethal-dose feeding studies of rats; [RTECS] An irritant; [MSDSonline]
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

안전 및 보호

Fire FightingFires involving this compound can be controlled using drychemicals, carbon dioxid or Halon. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity ExcerptsWHEN ADDED TO FOOD OF LARVAL & IMAGO DROSOPHILA, M-TRIFLUOROMETHYLNITROBENZENE INCR INCIDENCE OF DOMINANT LETHAL MUTATIONS AMONG OFFSPRING & INCR PERCENTAGE OF UNFERTILIZED EGGS.
Toxicity DataLC50 (rat) = 870 mg/m3

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
XT3500000
ridadr
UN 3431 6.1/PG II (NITROBENZOTRIFLUORIDES, SOLID)
HS 번호
29049090
risk_code
22-26-36/37/38-52/53-21/22

화학 및 산업

용도 및 제조

Uses · 2건

Used as intermediate for 3-aminobenzotrifluoride; [HSDB]

CHEMICAL INTERMEDIATE FOR 3-AMINOBENZOTRIFLUORIDE

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1978) 1.03X10+7 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 2건

(1977) No Data

(1979) No Data

Consumption PatternsESSENTIALLY 100% AS A CHEMICAL INTERMEDIATE
Methods of ManufacturingNITRATION OF BENZOTRIFLUORIDE WITH CONCENTRATED NITRIC AND SULFURIC ACIDS

응용 분야

일반 설명Pale oily liquid. Insoluble in water.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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18건

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