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879-18-5 molecular structure
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naphthalene-1-carbonyl chloride

ChemBase ID: 10008
Molecular Formular: C11H7ClO
Molecular Mass: 190.62568
Monoisotopic Mass: 190.01854252
SMILES and InChIs

SMILES:
C(=O)(c1c2c(ccc1)cccc2)Cl
Canonical SMILES:
ClC(=O)c1cccc2c1cccc2
InChI:
InChI=1S/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey:
NSNPSJGHTQIXDO-UHFFFAOYSA-N

Cite this record

CBID:10008 http://www.chembase.cn/molecule-10008.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalene-1-carbonyl chloride
IUPAC Traditional name
naphthalene-1-carbonyl chloride
Synonyms
1-Naphthoyl chloride
Naphthalene-1-carbonyl chloride
1-Naphthoyl chloride 98%
1-Naphthoyl chloride
1-Naphthalenecarbonyl chloride
1-萘甲酰氯
CAS Number
879-18-5
EC Number
212-903-9
MDL Number
MFCD00004002
Beilstein Number
775785
PubChem SID
24886108
160973315
24855045
PubChem CID
70146

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.153635  LogD (pH = 7.4) 3.153635 
Log P 3.153635  Molar Refractivity 53.6229 cm3
Polarizability 21.593609 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
16-19 °C(lit.) expand Show data source
16-19°C expand Show data source
16-19°C expand Show data source
Boiling Point
118°C/0.1mm expand Show data source
118°C/0.1mm expand Show data source
120°C/2mm expand Show data source
190 °C/35 mmHg(lit.) expand Show data source
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>110°C(230°F) expand Show data source
>230 °F expand Show data source
Density
1.265 expand Show data source
1.265 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.6525 expand Show data source
n20/D 1.652 expand Show data source
n20/D 1.652(lit.) expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
MOISTURE SENSITIVE, CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
UN3265 expand Show data source
MSDS Link
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
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
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
H314-H318 expand Show data source
GHS Precautionary statements
P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Purity
≥95.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
C10H7COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 250252 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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