2,3-Dibromo-1-propanol
Names
[ CAS No. ]:
96-13-9
[ Name ]:
2,3-Dibromo-1-propanol
[Synonym ]:
2,3-dibromopropan-1-ol
MFCD00004699
EINECS 202-480-9
Chemical & Physical Properties
[ Density]:
2.12 g/mL at 25 °C(lit.)
[ Boiling Point ]:
95-97 °C10 mm Hg(lit.)
[ Melting Point ]:
8ºC
[ Molecular Formula ]:
C3H6Br2O
[ Molecular Weight ]:
217.88700
[ Flash Point ]:
>230 °F
[ Exact Mass ]:
215.87900
[ PSA ]:
20.23000
[ LogP ]:
1.13710
[ Index of Refraction ]:
n20/D 1.559(lit.)
[ Water Solubility ]:
5-10 g/100 mL at 20 ºC
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UB0175000
- CHEMICAL NAME :
- 1-Propanol, 2,3-dibromo-
- CAS REGISTRY NUMBER :
- 96-13-9
- BEILSTEIN REFERENCE NO. :
- 1719127
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 23
- MOLECULAR FORMULA :
- C3-H6-Br2-O
- MOLECULAR WEIGHT :
- 217.91
- WISWESSER LINE NOTATION :
- Q1YE1E
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 681 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9920 mg/m3/4H
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 125 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 :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 316 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/m3/4H-3W-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Liver - changes in liver weight Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 11505 mg/kg/13W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 47940 mg/kg/51W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 37170 mg/kg/42W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- Heritable translocation test
MUTATION DATA
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 20 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 124,213,1983
Safety Information
[ Symbol ]:
GHS06, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H302 + H332-H311-H350-H361-H412
[ Precautionary Statements ]:
P201-P273-P280-P308 + P313
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T:Toxic;
[ Risk Phrases ]:
R20/22;R24;R45;R52/53;R62
[ Safety Phrases ]:
S53-S45-S61
[ RIDADR ]:
UN 2810 6.1/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
UB0175000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)
[ HS Code ]:
2905590090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
J. Agric. Food Chem. 30(4) , 627-31, (1982)
A combination of in vivo selection and cell sorting for the identification of enantioselective biocatalysts.
Angew. Chem. Int. Ed. Engl. 50(37) , 8584-7, (2011)
J. Heterocycl. Chem. 28 , 891, (1991)