Basic information
- CAS
4549-31-9- Standard SMILES
BrCCCCCCCBr- InChIKey
LVWSZGCVEZRFBT-UHFFFAOYSA-N- Molecular formula
- C7H14Br2
- Average molar mass
- 257.99 g/mol
- Monoisotopic mass
- 255.94622465
Names & identifiers
- Preferred name
- 1,7-Dibromoheptane
- IUPAC
- 1,7-dibromoheptane
- English name
- 1,7-Dibromoheptane
- Molecular formula
- C7H14Br2
- Molecular weight
- 257.99
Names & synonyms
1,7-DibromoheptaneHeptane, 1,7-dibromo-Dibromo-1,7 heptaneNSC 56149EINECS 224-910-4AI3-11015DTXSID6063519LVWSZGCVEZRFBT-UHFFFAOYSA-RefChem:73670DTXCID5040417224-910-4InChI=1/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
Show more names
Dibromoheptane1,7-Dibromheptan1,7-dibromo-heptanHeptane,1,7-dibromo-1,7-Dibromoheptane>1,7-Dibromoheptane,97%1,7-DIBROMOHEPTANE 98+%
LVWSZGCVEZRFBT-UHFFFAOYSA-N4549-31-9Heptamethylene dibromideMFCD000002741,7-dibromo-heptaneNSC56149NSC-561491,7-Dibromoheptane, 97%
Database identifiers
- CAS
4549-31-9- PubChem CID
- 78309
- DTXSID
DTXSID6063519- UNII
- C33G4RNT6F
- EC Number
- 224-910-4
- Nikkaji
- J80.852K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 40.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 41.7 °C · 41.7°C
- Boiling point
- 255 °C · 255 °C (lit.)
- Density
- 1.51 g/mL · 1.51 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.503(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- BRN
- 1734575 · 1734575
- Dielectric constant
- 5.1 · 5.1(24℃)
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
- InChIKey
- LVWSZGCVEZRFBT-UHFFFAOYSA-N
- SMILES
- C(Br)CCCCCCBr
- CAS DataBase Reference
- 4549 · 4549-31-9(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · Heptane, 1,7-dibromo- (4549-31-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,N,Xi
- Risk Statements
- 25 · 25-51/53
- Safety Statements
- 36 · 36/37-45-60-61
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- HS Code
- 2903691990 · 2903691990
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 Oral · Acute Tox. 2 Oral
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 2903691990
- risk_code
- 25-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,N,Xi
- hazard_note
- Irritant
- safety_code
- 36/37-45-60-61
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 2 Oral
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptane, 1,7-dibromo-: ACTIVE
Applications
Uses1,7-Dibromoheptane was used in the synthesis of random thermotropic liquid crystalline copolyether and ternary copolyether. It was also used in the synthesis of thermotropic liquid crystalline dendrimer exhibiting a nematic phase.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
88 records
Compound notes
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