3,4-Dimethoxybenzyl chloride

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Names

[ CAS No. ]:
7306-46-9

[ Name ]:
3,4-Dimethoxybenzyl chloride

[Synonym ]:
3,4-Dimethoxybenzyl chloride
Benzene, 4-(chloromethyl)-1,2-dimethoxy-
Veratryl chloride
EINECS 230-756-9
3,4-dimethoxy-benzyl-chloride
4-(Chloromethyl)-1,2-dimethoxybenzene
MFCD00185554
1,2-dimethoxy-4-chloromethyl-benzene

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
260.8±25.0 °C at 760 mmHg

[ Melting Point ]:
50-53ºC(lit.)

[ Molecular Formula ]:
C9H11ClO2

[ Molecular Weight ]:
186.635

[ Flash Point ]:
98.6±18.4 °C

[ Exact Mass ]:
186.044754

[ PSA ]:
18.46000

[ LogP ]:
2.22

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

[ Index of Refraction ]:
1.510

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XS9060000
CHEMICAL NAME :
Toluene, alpha-chloro-3,4-dimethoxy-
CAS REGISTRY NUMBER :
7306-46-9
BEILSTEIN REFERENCE NO. :
0973727
LAST UPDATED :
199707
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H11-Cl-O2
MOLECULAR WEIGHT :
186.65
WISWESSER LINE NOTATION :
G1R CO1 DO1

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 :
4700 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 26(2),55,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 74,241,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 26(2),55,1982 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg/42W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 74,241,1970

Safety Information

[ Hazard Codes ]:
C: Corrosive;

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
26-36/37/39-45

[ RIDADR ]:
UN 1759 8/PG 2

[ RTECS ]:
XS9060000

[ HS Code ]:
2909309090

Synthetic Route

Precursor & DownStream

Precursor

  • 3,4-Dimethoxybenzyl Alcohol
  • Veratric acid
  • 2,6-lutidine
  • o-veratryl alcohol
  • 1,2-Dimethoxybenzene
  • veratraldehyde
  • Chloromethyl methyl ether
  • 6-(benzyloxy)-2,3,4,9-tetrahydro-1H-carbazole
  • Formaldehyde
  • chlorosulfinyloxyethane

DownStream

  • (S)-2-Amino-3-(3,4-dimethoxyphenyl)propionic acid
  • (2R)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
  • 1,2-Dimethoxybenzene
  • 1,2-Dimethoxy-4-methylbenzene
  • Anisole
  • (R)-(+)-Tetrahydropapaverine
  • (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  • veratraldehyde
  • 1,3,4-Oxadiazole,2,5-diphenyl-
  • 3,4-Dimethoxyphenylacetic acid

Customs

[ HS Code ]: 2909309090

[ Summary ]:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%


Related Compounds

  • 6-iodo-3,4-dimethoxybenzyl chloride
  • 2-Methyl-3,4-dimethoxybenzyl chloride
  • 2-chloro-3,4-dimethoxybenzyl chloride
  • (3,4-Dimethoxybenzyl)-triphenylphosphonium chloride
  • 3,4-dimethoxybenzyl 2,3,4,6-tetra-O-benzyl-伪-D-glucopyranoside
  • 3,4-Dimethoxybenzyl isothiocyanate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-(1-Bromopropan-2-yl)-1-methyl-4-nitrobenzene
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • Methyl[(1,3-oxazol-4-yl)methyl]amine hydrochloride
  • 3-(2-Fluoroethyl)-1-[(4-hydroxyphenyl)methyl]thiourea