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96-43-5 molecular structure
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96-43-5 molecular structure
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2-chlorothiophene

ChemBase ID: 8379
Molecular Formular: C4H3ClS
Molecular Mass: 118.58462
Monoisotopic Mass: 117.96439878
SMILES and InChIs

SMILES:
 c1ccsc1Cl
Canonical SMILES:
 Clc1cccs1
InChI:
 InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChIKey:
 GSFNQBFZFXUTBN-UHFFFAOYSA-N

Cite this record

CBID:8379 http://www.chembase.cn/molecule-8379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chlorothiophene
IUPAC Traditional name
2-chlorothiophene
Synonyms
2-Thienyl chloride
2-Chlorothiophene
2-Chlorothiophene 98%
2-Chlorothiophene
邻氯噻吩
2-氯噻吩
CAS Number
96-43-5
EC Number
202-505-3
MDL Number
MFCD00005421
Beilstein Number
104652
PubChem SID
24849555
160971686
PubChem CID
7299

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 155667 external link Add to cart 26500 external link Add to cart
MP Biomedicals 05204830 external link Add to cart
Alfa Aesar A10390 external link Add to cart
Matrix Scientific 003960 external link Add to cart
Apollo Scientific OR10138 external link Add to cart
InterBioScreen BB_SC-8899 external link Add to cart
PubChem 7299 external link
Data Source Data ID Price
Sigma Aldrich
155667 external link Add to cart Please log in.
26500 external link Add to cart Please log in.
MP Biomedicals
05204830 external link Add to cart Please log in.
Alfa Aesar
A10390 external link Add to cart Please log in.
Matrix Scientific
003960 external link Add to cart Please log in.
Apollo Scientific
OR10138 external link Add to cart Please log in.
InterBioScreen
BB_SC-8899 external link Add to cart Please log in.
Data Source Data ID
PubChem 7299 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 2.5237284  LogD (pH = 7.4) 2.5237284 
Log P 2.5237284  Molar Refractivity 27.1285 cm3
Polarizability 10.938914 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 0  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-72°C expand Show data source
-72°C expand Show data source
Boiling Point
127-129 °C(lit.) expand Show data source
127-129°C expand Show data source
127-129°C expand Show data source
Flash Point
22°C(71°F) expand Show data source
23 °C expand Show data source
23°C expand Show data source
73.4 °F expand Show data source
Density
1.285 expand Show data source
1.286 expand Show data source
1.286 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5470 expand Show data source
1.5480 expand Show data source
n20/D 1.547 expand Show data source
n20/D 1.547(lit.) expand Show data source
Storage Warning
Flammable/Toxic/Stench/Keep Cold expand Show data source
TOXIC, STENCH, FLAMMABLE expand Show data source
RTECS
XM8575000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1992 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10-23/24/25 expand Show data source
10-36/37/38 expand Show data source
Safety Statements
16-26-36 expand Show data source
28-36/37-45 expand Show data source
TSCA Listed
true expand Show data source
是 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H225-H301-H311-H331 expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P361-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
96% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C4H3ClS expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204830 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 155667 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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