Basic information
- Standard SMILES
ClCCCCCBr- InChIKey
PHHNNDKXQVKJEP-UHFFFAOYSA-N- Molecular formula
- C5H10BrCl
- Average molar mass
- 185.49 g/mol
- Monoisotopic mass
- 183.9654401
Names & identifiers
- Preferred name
- 1-Bromo-5-chloropentane
- IUPAC
- 1-bromo-5-chloropentane
- English name
- 1-Bromo-5-chloropentane
- Molecular formula
- C5H10BrCl
- Molecular weight
- 185.49
Names & synonyms
1-Bromo-5-chloropentanePentane, 1-bromo-5-chloro-5-Chloropentyl bromideLZF4NNM2WX5-Bromo-1-chloropentaneEINECS 259-193-7NSC 50474NSC-50474DTXSID3068960PHHNNDKXQVKJEP-UHFFFAOYSA-RefChem:75143DTXCID4041733
Show more names
oropentane1-Bromo-5-chL1-Bromo-5-chloropent1-bromo-5-chloro-pentan1-Chloro-5-bromopentane1-Bromo-5-chloropentane1
259-193-7InChI=1/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2PHHNNDKXQVKJEP-UHFFFAOYSA-N54512-75-31-bromo-5-chloro-pentane5-Bromopentyl ChlorideC5H10BrClMFCD00001016
Database identifiers
- CAS
54512-75-3- PubChem CID
- 96070
- DTXSID
DTXSID3068960- UNII
- LZF4NNM2WX
- EC Number
- 259-193-7
- Nikkaji
- J29.160I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 31.3
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 210 · 210-212 °C (lit.)
- Density
- 1.408 g/mL · 1.408 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.484(lit.)
- Flash point
- 203 °F · 203 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- insoluble
- BRN
- 1732341 · 1732341
- InChI
- InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2
- InChIKey
- PHHNNDKXQVKJEP-UHFFFAOYSA-N
- SMILES
- C(Br)CCCCCl
- CAS DataBase Reference
- 54512 · 54512-75-3(CAS DataBase Reference)
- FDA UNII
- 4 NNM2WX · LZF4NNM2WX
- NIST Chemistry Reference
- 1 · Pentane, 1-bromo-5-chloro-(54512-75-3)
- EPA Substance Registry System
- 1 · Pentane, 1-bromo-5-chloro- (54512-75-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- PPE
- Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 23 · 23-24/25-37/39-26
- RIDADR
- 2810 · UN 2810
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29034980 · 29034980
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Pentane, 1-bromo-5-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentane, 1-bromo-5-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 26-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26528
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810
- hs_code
- 29034980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25-37/39-26
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P271-P280
Chemistry & industry
Uses & manufacturing
U.S. Production2021: 22,223 lb
General Manufacturing InformationPentane, 1-bromo-5-chloro-: ACTIVE
Applications
Uses1-Bromo-5-chloropentane, is used as an primary and secondary intermediate. It is also used as a intermediate in organic syntheses.
Upstream & downstream products
Upstream raw materials
Downstream products
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