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39827-11-7

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Basic Information
CAS No.: 39827-11-7
Name: Benzo[b]thiophene-2-carbonyl chloride
Article Data: 2
Molecular Structure:
Molecular Structure of 39827-11-7 (Benzo[b]thiophene-2-carbonyl chloride)
Formula: C9H5ClOS
Molecular Weight: 196.657
Synonyms: 1-Benzothiophene-2-carbonylchloride;2-(Chlorocarbonyl)benzo[b]thiophene;2-Benzo[b]thiophenecarbonylchloride;Benzo[b]thiophene-2-carboxylicacid chloride;Benzothiophene-2-carbonyl chloride;
EINECS: -0
Density: 1.41 g/cm3
Melting Point: 85-86 °C
Boiling Point: 309.522 °C at 760 mmHg
Flash Point: 140.994 °C
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39
Transport Information: UN 3261
PSA: 45.31000
LogP: 3.28030
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    Benzo(b)thiophene-2-carbonyl chloride

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Chemistry

Molecule structure of Benzo[b]thiophene-2-carbonyl chloride (CAS NO.39827-11-7):

IUPAC Name: 1-Benzothiophene-2-carbonyl chloride 
Molecular Weight: 196.6534 [g/mol]
Molecular Formula: C9H5ClOS 
Index of Refraction: 1.68
Molar Refractivity: 52.72 cm3
Molar Volume: 139.4 cm3
Surface Tension: 54 dyne/cm
Density: 1.41 g/cm3 
Melting Point: 85-86 °C
Flash Point: 141 °C
Enthalpy of Vaporization: 55.03 kJ/mol
Boiling Point: 309.5 °C at 760 mmHg
Vapour Pressure: 0.000636 mmHg at 25 °C 
Sensitive: moisture sensitive
XLogP3-AA: 3.8
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 195.974963
MonoIsotopic Mass: 195.974963
Topological Polar Surface Area: 45.3
Heavy Atom Count: 12
Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)Cl
InChI: InChI=1S/C9H5ClOS/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey: DNGLRCHMGDDHNC-UHFFFAOYSA-N
Product Categories of Benzo[b]thiophene-2-carbonyl chloride (CAS NO.39827-11-7): ACIDHALIDE; Carbonyl Chlorides; Thiophenes & Benzothiophenes; Carbonyl Chlorides; Thiophenes & Benzothiophenes

Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34 
R34:Causes burns.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3261
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: III

Specification

 Benzo[b]thiophene-2-carbonyl chloride (CAS NO.39827-11-7) is also named as Thianaphthene-2-carbonyl chloride ; 1-Benzothiophene-2-carbonyl chloride .