1-Chloronaphthalene
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
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
Precursor & DownStream
Precursor
DownStream
Articles
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 techniquesEur. 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...