Introduction：Basic information about CAS 96-13-9|2,3-Dibromo-1-propanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,3-Dibromo-1-propanol |
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| CAS Number | 96-13-9 | Molecular Weight | 217.88700 |
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| Density | 2.12 g/mL at 25 °C(lit.) | Boiling Point | 95-97 °C10 mm Hg(lit.) |
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| Molecular Formula | C3H6Br2O | Melting Point | 8ºC |
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| MSDS | ChineseUSA | Flash Point | >230 °F |
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| Symbol |
GHS06, GHS08 | Signal Word | Danger |
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Names
| Name | 2,3-Dibromo-1-Propanol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 2.12 g/mL at 25 °C(lit.) |
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| Boiling Point | 95-97 °C10 mm Hg(lit.) |
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| Melting Point | 8ºC |
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| Molecular Formula | C3H6Br2O |
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| Molecular Weight | 217.88700 |
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| Flash Point | >230 °F |
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| Exact Mass | 215.87900 |
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| PSA | 20.23000 |
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| LogP | 1.13710 |
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| Index of Refraction | n20/D 1.559(lit.) |
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| InChIKey | QWVCIORZLNBIIC-UHFFFAOYSA-N |
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| SMILES | OCC(Br)CBr |
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| Water Solubility | 5-10 g/100 mL at 20 ºC |
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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 DATAACUTE 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
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Safety Information
| Symbol |
GHS06, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H302 + H332-H311-H350-H361-H412 |
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| Precautionary Statements | P201-P273-P280-P308 + P313 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | T:Toxic; |
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| Risk Phrases | R20/22;R24;R45;R52/53;R62 |
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| Safety Phrases | S53-S45-S61 |
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| RIDADR | UN 2810 6.1/PG 2 |
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| WGK Germany | 3 |
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| RTECS | UB0175000 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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| HS Code | 2905590090 |
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Customs
| HS Code | 2905590090 |
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| 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% |
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Articles12
More Articles
| 2-Haloacrylic acids as indicators of mutagenic 2-haloacrolein intermediates in mammalian metabolism of selected promutagens and carcinogens. J. Agric. Food Chem. 30(4) , 627-31, (1982)
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J. Heterocycl. Chem. 28 , 891, (1991)
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Synonyms
| 2,3-dibromopropan-1-ol |
| MFCD00004699 |
| EINECS 202-480-9 |
