CAS 513-48-4 2-Iodobutane (HCID 10559)

Overview

2-iodobutane appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.

Names & identifiers

Preferred name: 2-Iodobutane
IUPAC: 2-iodobutane
English name: 2-Iodobutane
Molecular formula: C4H9I
Molecular weight: 184.02

Names & synonyms

2-IODOBUTANEsec-Butyl iodideButane, 2-iodo-NSC 8422EINECS 208-163-1UN2390UNII-4302E40S4NBRN 17187774302E40S4Nsec-C4H9INSC-84222-01-00-00086 (Beilstein Handbook Reference)

Show more names

2-Iodbutan2-Jodbutan2-iodo-butan2-Butyliodidebutane,2-iodo-S-BUTYL IODIDE2-Butyl Iodidesec-Iodobutane

IQRUSQUYPCHEKN-UHFFFAOYSA-DTXSID40858729SEC-BUTYL IODIDE DL-FORM [MI]UN 2390secIodobutane2iodobutane2Jodbutan2Butyl iodide

Database identifiers

CAS: 513-48-4
PubChem CID: 10559
DTXSID: DTXSID40858729
UNII: 4302E40S4N
EC Number: 208-163-1
Nikkaji: J2.621B

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 19.6

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Halogenated Aliphatics, Saturated

Flammable agents - 3rd degree

Vapor Pressure17.1 [mmHg]

Physical Description · 2 items

2-iodobutane appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.

Colorless liquid with an ether-like odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -104 °C · -104 °C (lit.)
Boiling point: 119 · 119-120 °C (lit.)
Density: 1.598 g/mL · 1.598 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.499(lit.)
Flash point: 75 °F · 75 °F
storage temp.: Flammables area
solubility: alcohol: soluble(lit.)
form: clear liquid
color: Colorless to Red to Green
Water Solubility: Insoluble in water. Soluble in alcohol and diethyl ether.
Sensitive: Light Sensitive
Merck: 14 · 14,1574
BRN: 1718777 · 1718777
Henry's Law Constant: 5 · 5.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Stability: Stable. Flammable. Incompatible with strong oxidizing agents. Light sensitive.
InChI: 1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey: IQRUSQUYPCHEKN-UHFFFAOYSA-N
SMILES: CCC(C)I
CAS DataBase Reference: 513 · 513-48-4(CAS DataBase Reference)
FDA UNII: 4302 E40S4N · 4302E40S4N
NIST Chemistry Reference: 2 · Butane, 2-iodo-(513-48-4)
EPA Substance Registry System: 2 · Butane, 2-iodo- (513-48-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 2390 · UN 2390
WGK Germany: 3 · 3
RTECS: 4410000 · EK4410000
F: 8 · 8
Hazard Note: Irritant/Flammable/Light Sensitive
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29033080 · 29033080
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (11.4%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

2-Iodobutane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid

Fire Hazards · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Isopropyl iodide. See 2-Bromobutane.

DOT ID and Guide2390 129

Safety & protection

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Isolation and Evacuation · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Immediate precautionary measure

Safety data

F: 8
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: EK4410000
ridadr: UN 2390
hs_code: 29033080
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
hazard_note: Irritant/Flammable/Light Sensitive
safety_code: 26-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H315-H319-H226
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Chemistry & industry

Uses & manufacturing

UsesUsed as a solvent and to make other chemicals; [CAMEO]

General Manufacturing InformationButane, 2-iodo-: ACTIVE

Applications

UsesIt is used as a solvent organic synthesis and as pharmaceutical intermediate.

General Description2-iodobutane is a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.