1-Chloronaphthalene

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Names

[ CAS No. ]:
90-13-1

[ Name ]:
1-Chloronaphthalene

[Synonym ]:
α-Chlornaphthalene
A-CHLORONAPHTALENE
monochloronaphthalene
Naphthalene, 1-chloro-
1-Chlornaphthalin
1-CHLORONAPHTHLENE
α-Chloronaphthalene
1CHLORONAPTHALENE
1-CHLORONAPHTHALENE FOR SYNTHESIS
1-Chloronaphthalen
I-Chlornaphthalin
1-chloro naphthalene
1-chloronaphtalene
EINECS 201-967-3
1-Chlornaftalen
PCN-1
1-Chloronaphthalene
1-Naphtyl chloride
MFCD00003874
1-NAPHTHYL CHLORIDE

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
260.3±9.0 °C at 760 mmHg

[ Melting Point ]:
−20 °C(lit.)

[ Molecular Formula ]:
C₁₀H₇Cl

[ Molecular Weight ]:
162.616

[ Flash Point ]:
121.1±0.0 °C

[ Exact Mass ]:
162.023621

[ LogP ]:
4.04

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.643

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
insoluble.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QJ2100000

CHEMICAL NAME :: Naphthalene, 1-chloro-

CAS REGISTRY NUMBER :: 90-13-1

LAST UPDATED :: 199712

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C10-H7-Cl

MOLECULAR WEIGHT :: 162.62

WISWESSER LINE NOTATION :: L66J BG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1540 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1091 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 200 ug/plate

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 19(Suppl 21),2,1992 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FINLAND:TWA 0.2 mg/m3;STEL 0.6 mg/m3;Skin JAN 1993 OEL-SWEDEN:TWA 0.2 mg/m3;STEL 0.6 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1147 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 228 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1147 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 63 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335-H400

[ Precautionary Statements ]:
P261-P273-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R22;R36/37/38;R51/53

[ Safety Phrases ]:
S26-S36-S61-S37/39-S29-S36/37-S45

[ RIDADR ]:
3082

[ WGK Germany ]:
2

[ RTECS ]:
QJ2100000

[ Packaging Group ]:
III

[ Hazard Class ]:
9.0

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Naphthalene
1-Bromonaphthalene
Benzene,1,2-diethynyl-(9CI)
1-Naphthalenol
potassium trifluoro(naphthalen-1-yl)borate
naphthalene-1-diazonium,tetrafluoroborate
1-Aminonaphthalene
1-naphthyltellurium(IV) trichloride
naphthalene-1-diazonium,chloride
acrylic acid methyl ester

DownStream

4-Chloro-1-naphthoic acid
ETHYL 2-(1-NAPHTHYL)-2-OXOACETATE
2-fluoronaphthalene
1-Fluoronaphthalene
Perfluorodecalin
Naphthalene,1-chloro-4-nitro-
1-Chloro-5-nitronaphthalene
1-chloro-4,5-dinitronaphthalene
Naphthalene,4-chloro-1,5-dinitro-
1-Chloro-8-nitronaphthalene

Articles

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

J. Med. Chem. 48 , 440-9, (2005)

The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies o...

Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques

Eur. J. Med. Chem. 44 , 1941-51, (2009)

A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The an...