Basic information
- CAS
13749-37-6- Standard SMILES
ClC(Cl)(Cl)CCBr- InChIKey
PUNXOOKBNWKKKR-UHFFFAOYSA-N- Molecular formula
- C3H4BrCl3
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 223.8562
Names & identifiers
- Preferred name
- 3-Bromo-1,1,1-trichloropropane
- IUPAC
- 3-bromo-1,1,1-trichloropropane
- English name
- 3-Bromo-1,1,1-trichloropropane
- Molecular formula
- C3H4BrCl3
- Molecular weight
- 226.33
Names & synonyms
3-Bromo-1,1,1-trichloropropane13749-37-61,1,1-Trichloro-3-bromopropaneDTXSID20341467RefChem:93086DTXCID40292548InChI=1/C3H4BrCl3/c4-2-1-3(5,6)7/h1-2HPUNXOOKBNWKKKR-UHFFFAOYSA-NPropane, 3-bromo-1,1,1-trichloro-BromathyL ChloroformSCHEMBL17791923-bromo-1,1,1,-trichloropropane
Show more names
AKOS0159163723-Bromo-1,1,1-trichloropropane, 97%
Database identifiers
- CAS
13749-37-6- PubChem CID
- 573283
- DTXSID
DTXSID20341467- EC Number
- 806-308-9
- Nikkaji
- J104.605E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48.6
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 113 · 113-114 °C(lit.)
- Density
- 1.762 g/mL · 1.762 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.513(lit.)
- Flash point
- 166 °F · 166 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
1 records
Compound notes
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