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1667-10-3 molecular structure
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1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene

ChemBase ID: 138472
Molecular Formular: C14H12Cl2
Molecular Mass: 251.15108
Monoisotopic Mass: 250.03160574
SMILES and InChIs

SMILES:
c1cc(ccc1CCl)c1ccc(cc1)CCl
Canonical SMILES:
ClCc1ccc(cc1)c1ccc(cc1)CCl
InChI:
InChI=1S/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey:
INZDTEICWPZYJM-UHFFFAOYSA-N

Cite this record

CBID:138472 http://www.chembase.cn/molecule-138472.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene
IUPAC Traditional name
1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene
Synonyms
4,4'-Bis(chloromethyl)-1,1'-biphenyl
4,4′-Bis(chloromethyl)-1,1′-biphenyl
联苯二氯苄
CAS Number
1667-10-3
EC Number
216-784-4
MDL Number
MFCD00674019
PubChem SID
24868429
162232727
PubChem CID
74275

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 74275 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7949553  LogD (pH = 7.4) 4.7949553 
Log P 4.7949553  Molar Refractivity 70.928 cm3
Polarizability 28.600092 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
126 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Linear Formula
ClCH2C6H4C6H4CH2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 448753 external link
Packaging
250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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