Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:123366
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₇H₆Cl₂
Molecular Mass
161.02854
Exact Mass
159.98465555
Charge
0
InChI
InChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey
BASMANVIUSSIIM-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1645327
LogD (pH = 7.4)
3.1645327
Log P
3.1645327
Molar Refractivity
40.7297
Polarizability
15.862419
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
194255
241180
23830
Chemik
CHB00110
Bide Pharmatech
BD41854
Alfa Aesar
A11900
InterBioScreen
BB_SC-6882
Academic Data
PubChem
11906
Names and Identifiers
Synonyms
1-chloro-2-(chloromethyl)benzene
α,2-Dichlorotoluene
α,2-二氯甲苯
邻氯氯苄
2-Chlorobenzyl chloride
2-氯苄氯
2-Chlorobenzyl chloride
alpha,2-Dichlorotoluene
IUPAC Traditional name
1-chloro-2-(chloromethyl)benzene
IUPAC name
1-chloro-2-(chloromethyl)benzene
Registration numbers
PubChem SID
24854467
24854156
24851642
162217719
CAS Number
611-19-8
EC Number
210-258-8
MDL Number
MFCD00000893
Beilstein Number
471700
PubChem CID
11906
Molecule Details
Sigma Aldrich
241180
Packaging
50 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
CAS Number
•
EC Number
•
MDL Number
•
Beilstein Number
•
PubChem CID
Properties
•
Safety Information
•
Product Information
•
Physical Property
Properties
Safety Information
GHS Hazard statements
H314
-
H317
-
H330
Source
H331
-
H302
-
H312
-
H314
-
H318
-
H400
-
H410
Source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
CZ0195000
Source
P260
-
P280
-
P284
-
P305+P351+P338
-
P310
Source
P280
-
P273
-
P305+P351+P338
-
P309
-
P310
-P501A
6.1
Source
Danger
Source
Corrosive (C)
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Download link
Source
Download link
Source
Download link
Source
UN 2235 6.1/PG 3
Source
26
-
36/37/39
-
45
Source
26
-
36/37/39
-
45
-
60
-
61
3
Source
III
Source
2235
Source
UN2235
Source
3
Source
34
-
43
Source
20/21/22
-
34
-
50/53
Source
是
Source
Product Information
ClC6H4CH2Cl
Source
≥98%
Source
≥99%
Source
≥98.0% (GC)
Source
98%
Source
98+%
Source
purum
Source
Physical Property
82 °C
Source
179.6 °F
Source
109°C(228°F)
Source
1.274 g/mL at 25 °C(lit.)
Source
1.272
Source
213-214 °C(lit.)
Source
213-214°C
Source
Source
Source
Nature polluting (N)
Source
Harmful (X)
Source
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
Source
Source
Vapor Pressure
3 mmHg ( 84 °C)
Source
Refractive Index
n20/D 1.559(lit.)
Source
n20/D 1.559
Source
1.5590
Source
Vapor Density
5.5 (vs air)
Source
Melting Point
-13°C
Source
Personal Protective Equipment
RTECS
GHS Precautionary statements
Hazard Class
GHS Signal Word
European Hazard Symbols
GHS Pictograms
MSDS Link
RID/ADR
Safety Statements
Packing Group
UN Number
German water hazard class
Risk Statements
TSCA Listed
Linear Formula
Purity
Grade
Flash Point
Density
Boiling Point