Benzyl chloride
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Benzyl chloride
structure -
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CAS No:
100-44-7
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Formula:
C7H7Cl
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Chemical Name:
Benzyl chloride
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Synonyms:
Benzene,(chloromethyl)-;Toluene,α-chloro-;(Chloromethyl)benzene;Benzyl chloride;ω-Chlorotoluene;Chlorophenylmethane;Tolyl chloride;α-Chlorotoluene;Phenylmethyl chloride;NSC 8043;1-Chloromethylbenzene;Bnol
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CAS No:
Description
Benzyl chloride, or α-chlorotoluene, is an organic compound with the formula C6H5CH2Cl. This colourless liquid is a reactive organochlorine compound that is a widely used chemical building block.
Characteristics
0
2.4254
colorless liquid
1.1
-39ºC
179ºC
67ºC
1.537-1.539
0.3 g/L (20 ºC)
0-6ºC
10.3 mm Hg ( 60 °C)
4.36 (vs air)
Safety Information
II
6.1
3
R22; R23; R37/38; R41; R45; R48/22
XS8925000
T
Unstable - inhibitors such as propylene oxide or trimethylamine are usually added to prevent polymerization. Combustible. Incompatible with strong oxidizing agents, water, acids, most common metals, dimethyl sulfoxide. Above flash point vapour-air mixtures
S45-S53
UN 1738
P201; P260; P280; P304 + P340 + P310; P305 + P351 + P338 + P310
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| OTHER MULTIPLE DOSE TOXICITY DATA | TDLo - Lowest published toxic dose | Oral | Rodent - rat | 4836 mg/kg/26W-I | Cardiac--other changes Gastrointestinal--necrotic changes Related to Chronic Data--death |
JNCI, Journal of the National Cancer Institute. (Washington, DC) V.61-79, 1978-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 76,1231,1986 |
| OTHER MULTIPLE DOSE TOXICITY DATA | TDLo - Lowest published toxic dose | Oral | Rodent - mouse | 7800 mg/kg/26W-I | Liver--other changes | JNCI, Journal of the National Cancer Institute. (Washington, DC) V.61-79, 1978-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 76,1231,1986 |
| OTHER MULTIPLE DOSE TOXICITY DATA | TCLo - Lowest published toxic concentration | Inhalation | Rodent - mouse | 46 ppm/6H/14D-I | Sense Organs and Special Senses (Olfaction)--effect, not otherwise specified | JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 15,207,1995 |
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Packed | SE-30 | 1015. | 150. | isothermal | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m | Tiess, D.Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe1984, 33, 6-9. |
| Kovats' RI, non-polar column, isothermal | Capillary | DB-1 | 977.9 | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C | Sun, G.Stremple, P.Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. | |
| Kovats' RI, non-polar column, isothermal | Capillary | DB-5 | 1023. | temperature ramp | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C | Dallüge, J.van Stee, L.L.P.Xu, X.Williams, J.Beens, J.Vreuls, R.J.J.Brinkman, U.A.Th.Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry. Cigarette smokeJ. Chromatogr. A2002, 974, 1-2, 169-184. | |
| Kovats' RI, non-polar column, isothermal | Capillary | OV-1 | 985.6 | temperature ramp | 8. K/min; Tstart: 35. C; Tend: 300. C | Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176. | |
| Kovats' RI, non-polar column, isothermal | Capillary | DB-1 | 1002. | temperature ramp | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 8. K/min; Tend: 200. C | Gandhe, B.R.Malhotra, R.C.Gutch, P.K.Gas chromatographic retention indices of tear gases on capillary columnsJ. Chromatogr.1989, 479, 165-169. |
Computed Properties
Molecular Weight:126.58
XLogP3:2.3
Rotatable Bond Count:1
Exact Mass:126.0236279
Monoisotopic Mass:126.0236279
Heavy Atom Count:8
Complexity:55.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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