1,2-dibromo-3-chloropropane

• ChemBase ID: 8701
• Molecular Formular: C3H5Br2Cl
• Molecular Mass: 236.3328
• Monoisotopic Mass: 233.84465184
• SMILES: C(CBr)(CCl)Br
• Canonical SMILES: ClCC(CBr)Br
• InChI: InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
• InChIKey: WBEJYOJJBDISQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-3-chloropropane
• IUPAC Traditional name: 1,2-dibromo-3-chloropropane
• Synonyms: 1,2-Dibromo-3-chloropropane; DBCP; 1,2-Dibromo-3-chloropropane; 3-Chloro-1,2-dibromopropane 98%; 1,2-二溴-3-氯丙烷

Database IDs

• CAS Number: 96-12-8
• EC Number: 202-479-3
• MDL Number: MFCD00039365
• Beilstein Number: 1732077
• PubChem SID: 24885325; 24862844; 160972008
• PubChem CID: 7280
• Chemspider ID: 7008
• KEGG ID: C14336
• Unique Ingredient Identifier: 96K0FD4803
• Wikipedia Title: 1,2-Dibromo-3-chloropropane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.595752
• LogD (pH = 7.4): 2.595752
• Log P: 2.595752
• Molar Refractivity: 35.6361 cm^3
• Polarizability: 14.170941 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 196°C; 60-65 °C/7.5 mmHg
• Flash Point: 168.8 °F; 76 °C
• Density: 2.08; 2.081 g/mL at 25 °C
• Refractive Index: n/D 1.5542

Safety Information

• Storage Warning: TOXIC; Toxic
• RTECS: TX8750000
• European Hazard Symbols: Toxic (T)
• UN Number: 2872
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 45-46-60-25-48/20/22-52/53
• Safety Statements: 53-45-61; R
• TSCA Listed: true
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H340-H350-H360F-H373-H412
• GHS Precautionary statements: P201-P273-P301 + P310-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2872 6.1/PG 3

Product Information

• Purity: 97%; 98%
• Grade: PESTANAL®, analytical standard
• Linear Formula: CH2BrCHBrCH2Cl

DETAILS

Apollo Scientific Ltd - OR1177

Neat reagent for EPA water testing methods

Sigma Aldrich - 676713

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 31257

Caution
Restricted to professional users. Attention - Avoid exposure - obtain special instructions before use.
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH