化合物信息

ID:94065

InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

GETTZEONDQJALK-UHFFFAOYSA-N

质子受体

质子供体

LogD (pH = 5.5)

2.8510942

LogD (pH = 7.4)

2.8510942

Log P

2.8510942

摩尔折射率

32.0317

极化性

11.480607

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

true

(trifluoromethyl)-benzene

Benzotrifluoride 99%alpha,alpha,alpha-TrifluorotolueneBENZOTRIFLUORIDEBenzotrifluorideα,α,α-Trifluorotoluene solutionα,α,α-三氟甲苯溶液三氟甲苯trifluoromethylbenzene(Trifluoromethyl)benzeneα,α,α-Trifluorotolueneα,α,α-三氟甲苯(Trifluoromethyl)benzeneBTFBenzotrifluoride三氟甲苯

(trifluoromethyl)benzene

PC1190

An alternative solvent to dichloromethane with higher bp and lower toxicity.

05208575

MP Biomedicals Rare Chemical collection

736120

Features and Benefits
19F sensitivity

733806

Features and Benefits
19F Sensitivity

613185

Features and Benefits
19F 灵敏度

612685

Features and Benefits
19F sensitivity

551406

Features and Benefits
19F 灵敏度

12811

Other Notes
替代二氯甲烷用作有机反应的溶剂：毒性低且沸点更高1

547948

包装
1, 2 L in Sure/Seal™
100, 12×100 mL in Sure/Seal™

T63703

包装
1 kg in glass bottle
500 g in glass bottle

• Metallation of benzotrifluoride with n-BuLi in diethyl ether is unselective, giving, on quenching with CO₂, a mixture consisting largely of ortho- and meta-trifluoromethyl benzoic acids: J. Am. Chem. Soc., 68, 1658 (1946). Use of the superbasic combination of n-BuLi and KO-t-Bu was found to give regioselective ortho-metallation, leading to high yields of the ortho-acid: Synlett, 747 (1990).

• Non-chlorinated alternative solvent to dichloromethane for a variety of reactions including Swern, Dess-Martin and hydrogen peroxide oxidations, and Lewis acid promoted reactions: J. Org. Chem., 62, 450 (1997).

名称和标识

IUPAC传统名

(trifluoromethyl)-benzene

别名

IUPAC标准名

(trifluoromethyl)benzene

数据登录号

MDL号

MFCD00000372

EC号

202-635-0214-061-8

CAS号

98-08-8

PubChem SID

2487922216208072024882104248678472487899524871925

PubChem CID

Beilstein号

默克索引号

描述信息

PC1190

An alternative solvent to dichloromethane with higher bp and lower toxicity.

MP Biomedicals

05208575

MP Biomedicals Rare Chemical collection

Sigma Aldrich

736120

Features and Benefits
19F sensitivity

733806

Features and Benefits
19F Sensitivity

613185

Features and Benefits
19F 灵敏度

612685

Features and Benefits
19F sensitivity

551406

Features and Benefits
19F 灵敏度

12811

Other Notes
替代二氯甲烷用作有机反应的溶剂：毒性低且沸点更高1

547948

包装
1, 2 L in Sure/Seal™
100, 12×100 mL in Sure/Seal™

T63703

包装
1 kg in glass bottle
500 g in glass bottle

参考文献

PubChem文献

数据源提供

生物活性

PubChem BioAssay

欧盟危险性物质标志

环境危害性 (N)

易燃性 (F)

有毒 (T)

RTECS编号

XT9450000

GHS危险品标识

呼吸道过敏，类别1

生殖细胞突变，类别1A，1B，2

致癌性，类别1A，1B，2

生殖毒性，类别1A，1B，2

特定目标器官毒性 – 一次接触，类别1,2

特定目标器官毒性 – 反复接触，类别1,2

吸入危险，类别1

急性毒性（口服，皮肤接触，吸入），类别4

皮肤刺激，类别2

眼刺激，类别2

皮肤过敏，类别1

特定目标器官毒性 -一次接触，类别3

易燃气体类别1

易燃气溶胶，第1,2类

易燃液体，类别1,2,3

自反应物质和混合物，类型B，C，D，E，F

自燃液体类别1

自燃固体类别1

自我放热物质和混合物，类别1,2

与水接触的物质和混合物，放出易燃气体类别1,2,3

有机过氧化物，类别B，C，D，E，F

对水环境的危害

急性危害，类别1

慢性危害，类别1,2

急性毒性（口服，皮肤接触，吸入），类别1,2,3

GHS危险声明

H225-H304-H315-H319-H340-H350-H372

H225-H411

H301-H311-H331-H370

H225-H411-H401

GHS警示性声明

P201-P210-P301+P310-P305+P351+P338-P308+P313-P331

P210-P273

P260-P280-P301+P310-P311

P210-P261-P273

GHS警示词

Danger

德国WGK号

RID/ADR

UN 1114 3/PG 2

UN 2338 3/PG 2

UN 1230 3/PG 2

联合国危险货物等级

联合国危险货物编号

1114

2338

1230

UN2338

联合国危险货物包装类别(PG)

个人保护装置

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

保存温度

2-8°C

TSCA收录

是

analytical standard

线性分子式

C6H5CF3

NMR tube O.D. × L

5 mm × 8 in.

3 mm × 8 in.

4 mm × 8 in.

NMR tube wall thickness

0.24 mm , ultra-thin wall

包装

ampule of 1000 mg

ampule of 1 mL

适用性

suitable for 8020 per US EPA

suitable for 602 per US EPA

suitable for 8021A (1990) per US EPA

suitable for 8021 (1987) per US EPA

suitable for 503.1 per US EPA

特征

standard type internal/surrogate