Benzotrichloride | CAS No. 98-07-7

Benzotrichloride

Basic Information

CAS Number

98-07-7

Molecular Formula

C7H5Cl3

Molecular Weight

195.48 g/mol

EINECS

202-634-5

AD

Basic Physical Properties

Physical State

Clear yellow

Melting Point

−7.5-−7°C

Boiling Point

219-223°C760mm Hg

Density

1.38g/mLat 25°C

Water Solubility

HYDROLYSIS

Flash Point

207°F

Solubility

alcohol: soluble

Refractive Index

n20/D 1.557(lit.)

Vapor Pressure

0.2 mm Hg ( 20 °C)

Vapor Density

6.77 (vs air)

Odor

penetrating odor

C1=CC=C(C=C1)C(Cl)(Cl)Cl

InChI

InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChIKey

XEMRAKSQROQPBR-UHFFFAOYSA-N

LogP

3.513300000000002

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

99.9

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H318 Causes serious eye damage
Serious eye damage/eye irritation
H331 Toxic if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
H350 May cause cancer
Carcinogenicity

Hazard Class

Class 8 Class 8

Stability

Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture.

Sensitiveness

Moisture Sensitive

Auto-ignition Temperature

411 °F

Toxicity

LD50 orally in rats: 6.0 g/kg (Smyth)

Synonyms & References

English

  • Toluene, alpha,alpha,alpha,-trichloro-
  • MFCD00000786
  • Benzenyl trichloride
  • CHEBI:82274
  • EN300-19413
  • WLN: GXGGR
  • Trichlormethylbenzol
  • alpha , alpha , alpha -Trichlorotoluene
  • CAS-98-07-7
  • Q426111
  • MLS001055387
  • NCGC00254133-01
  • BENZOTRICHLORIDE [HSDB]
  • NSC 14663
  • BRN 0508152
  • DTXSID1020148
  • AI3-02583
  • NSC14663
  • SMR000677940
  • alpha, alpha,alpha-Trichlorotoluene
  • benzotrichlorid
  • TRICHLOROTOLUENE
  • UN2226
  • BENZOTRICHLORIDE
  • Phenylchloroform
  • RCRA waste no. U023
  • 30583-33-6
  • 98-07-7
  • BENZOTRICHLORIDE [MI]
  • HSDB 2076
  • CHEMBL1347516

MDL Number

MFCD00000786

EC Number

202-634-5

Customs Code

29039990

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