3-ニトロベンゾトリフルオリド

m-(Trifluoromethyl)nitrobenzene

HCID 7386CAS 98-46-4

基本情報

標準SMILES
O=[N+]([O-])c1cccc(C(F)(F)F)c1
InChIKey
WHNAMGUAXHGCHH-UHFFFAOYSA-N
分子式
C7H4F3NO2
平均分子量
191.11 g/mol
単同位体質量
191.01941303

概要

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

名称と識別子

優先名称
m-(Trifluoromethyl)nitrobenzene
IUPAC
1-nitro-3-(trifluoromethyl)benzene
現地名
3-ニトロベンゾトリフルオリド
英語名
3-Nitrobenzotrifluoride
分子式
C7H4F3NO2
分子量
191.11

名称と別名

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
名称をさらに表示
3-ニトロベンゾトリフルオリド1-トリフルオロメチル-3-ニトロベンゼンm-ニトロベンゾトリフルオリド1-(トリフルオロメチル)-3-ニトロベンゼン1-ニトロ-3-(トリフルオロメチル)ベンゼンm-ニトロ-α,α,α-トリフルオロトルエン3-ニトロ-1-(トリフルオロメチル)ベンゼン1-ニトロ-3-トリフルオロメチルベンゼン3-ニトロベンジリジントリフルオリド3-(トリフルオロメチル)-1-ニトロベンゼン3-ニトロ-α,α,α-トリフルオロトルエン3-ニトロベンゾトリフルオライド3ニトロトリフルオロトルエンNitrobenzotrifluorideusafma-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

データベース識別子

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

物性

構造計算による物性

XLogP
2.6
極性表面積
45.8 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
0
重原子数
13

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Nitros, Aromatic

Reactive agents - 1st degree

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

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

1.437 @ 15.5 °C

Viscosity2.35 CENTIPOISES @ 100 °F

物理化学的性質

融点
-5 °C · -5 °C
沸点
200 · 200-205 °C(lit.)
比重(密度)
1.436 g/mL · 1.436 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.472(lit.)
闪点
190 °F · 190 °F
外見
clear liquid

化学的性質

化学的特性Clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全と保護具

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

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 · 1 件

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.

毒性情報

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

安全データ

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

化学と産業

用途と製造

Uses · 2 件

Used as intermediate for 3-aminobenzotrifluoride; [HSDB]

CHEMICAL INTERMEDIATE FOR 3-AMINOBENZOTRIFLUORIDE

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) No Data

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

U.S. Production · 2 件

(1977) No Data

(1979) No Data

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

応用分野

一般的な説明Pale oily liquid. Insoluble in water.

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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]

関連反応

18 件

関連ノート

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