CAS 630-17-1 1-Bromo-2,2-dimethylpropane (HCID 12415)

Overview

structure given in first source

Names & identifiers

Preferred name: 1-Bromo-2,2-dimethylpropane
IUPAC: 1-bromo-2,2-dimethylpropane
English name: 1-BROMO-2,2-DIMETHYLPROPANE
Molecular formula: C5H11Br
Molecular weight: 151.04

Names & synonyms

1-Bromo-2,2-dimethylpropane630-17-1NEOPENTYL BROMIDEPropane, 1-bromo-2,2-dimethyl-DTXSID2060886RefChem:165328DTXCID3043607211-132-51-bromo-2,2-dimethyl-propaneCCRIS 4895neo-pentyl bromideEINECS 211-132-5

Show more names

1-bromo-2,2-dimethyl-propancas no 630-17-11-Bromo-2,2-dimethyLNeopentylbromide,98%Neo-pentyl Bromide 97%1-BROMO-2,2-DIMETHYLPRNeopentyl broMide, 98% 5GR2,2-DIMETHYL-1-BROMOPROPANE

MFCD000002091-Bromo-2,2-dimethylpropane, 98%(CH3)3CCH2BrAKOS005207080AB91626D78161F0001-1708Neopentylbromde

Database identifiers

CAS: 630-17-1
PubChem CID: 12415
DTXSID: DTXSID2060886
EC Number: 211-132-5
Nikkaji: J95.691K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 33.7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -105.4 °C · -105.4°C (estimate)
Boiling point: 105 · 105-106 °C/767 mmHg (lit.)
Density: 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.436(lit.)
Flash point: 44 °F · 44 °F
storage temp.: 2 · 2-8°C
form: liquid
Appearance: Colorless to light yellow Liquid
Water Solubility: Soluble in ethanol, ether, aetone and benzene. Insoluble in water.
BRN: 1730989 · 1730989
Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases.
InChI: InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey: CQWYAXCOVZKLHY-UHFFFAOYSA-N
SMILES: C(Br)C(C)(C)C
CAS DataBase Reference: 630 · 630-17-1(CAS DataBase Reference)
EPA Substance Registry System: 1 · Propane, 1-bromo-2,2-dimethyl- (630-17-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 26 · 26
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29033919 · 29033919
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 2-Bromopentane. See 1,3-Dibromo-2,2-dimethylpropane. See 1-Chloro-2,2-dimethylpropane.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29033919
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 26
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropane, 1-bromo-2,2-dimethyl-: ACTIVE

Applications

UsesNeopentyl bromide is used in synthesis of S-alkylated cysteine derivatives with branched alkyl chains. It can be used in agrochemical, pharmaceutical and dyestuff field .