2,2-bis(chloromethyl)propane-1,3-diol

Names

[ CAS No. ]:
2209-86-1

[ Name ]:
2,2-bis(chloromethyl)propane-1,3-diol

[Synonym ]:
Clorpropandiol
1,3-Propanediol,2,2-bis(chloromethyl)
Loprodiol
Chlorpropandiol
1,3-dichloro-2,2-di(hydroxymethyl)propane
Dispranol
2,2-di(chloromethyl)-1,3-propanediol
Loprodiolum [INN-Latin]
2,2-bis-(chloromethyl)-propane-1,3-diol
2,2-bis(chloromethyl)-1,3-propanediol
EINECS 218-635-9

Chemical & Physical Properties

[ Density]:
1.342g/cm3

[ Boiling Point ]:
334.9ºC at 760mmHg

[ Molecular Formula ]:
C5H10Cl2O2

[ Molecular Weight ]:
173.03800

[ Flash Point ]:
156.3ºC

[ Exact Mass ]:
172.00600

[ PSA ]:
40.46000

[ LogP ]:
0.43500

[ Vapour Pressure ]:
8.73E-06mmHg at 25°C

[ Index of Refraction ]:
1.5

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY3200000
CHEMICAL NAME :
1,3-Propanediol, 2,2-bis(chloromethyl)-
CAS REGISTRY NUMBER :
2209-86-1
BEILSTEIN REFERENCE NO. :
1698883
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C5-H10-Cl2-O2
MOLECULAR WEIGHT :
173.05
WISWESSER LINE NOTATION :
Q1X1Q1G1G

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 :
1285 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
920 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Rectal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
812 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 48,67,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960

Safety Information

[ HS Code ]:
2905590090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5,5-dichloromethyl-2-thia-1,3-dioxane 2-oxide
  • Pentaerythritol
  • 5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxane
  • 3,3-Bis(chloromethyl)oxetane
  • [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
  • Pyridine
  • Thionyl chloride

DownStream

  • 2-(chloromethyl)-2-(hydroxymethyl)propane-1,3-diol
  • 2,6-Dioxaspiro[3.3]heptane
  • 3-ethoxymethyl-3-hydroxymethyl-oxetane
  • [3-(Chloromethyl)-3-oxetanyl]methanol
  • 1,3-Dioxane,5,5-bis(chloromethyl)-2-phenyl-

Customs

[ HS Code ]: 2905590090

[ Summary ]:
2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Related Compounds

  • 2,2-bis(chloromethyl)propane-1,3-diol,sulfuric acid
  • phosphorodichloridic acid 2,2-bis-chloromethyl-propane-1,3-diyl ester
  • 2,2'-[[2,2-bis(chloromethyl)propane-1,3-diyl]bis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide
  • pentaerythrityl tetrachloride
  • 3-(benzenesulfonyl-(2-carboxyethyl)amino)propanoic acid
  • 2,2-bis(hydroxymethyl)propane-1,3-diol,decanoic acid,heptanoic acid,octanoic acid,pentanoic acid