Tetrabutylammonium Iodide

HCID 67553CAS 311-28-4

Substructure search Find similar structures

Basic information

Standard SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[I-]
InChIKey: DPKBAXPHAYBPRL-UHFFFAOYSA-M
Molecular formula: C16H36IN
Average molar mass: 369.37 g/mol
Monoisotopic mass: 369.18925

Names & identifiers

Preferred name: Tetrabutylammonium Iodide
IUPAC: tetrabutylazanium iodide

Names & synonyms

Tetrabutylammonium iodide311-28-41-Butanaminium, N,N,N-tributyl-, iodide (1:1)1-Butanaminium, N,N,N-tributyl-, iodideNSC-104146M53DT4JNGDTXSID30878092RefChem:896768DTXCID701016152206-220-5Tetra-n-butylammonium iodideTBAI

Show more names

Tetrabutyl ammonium iodidetetrabutylammoniumiodidetetrabutylazanium iodideTetra-N-butylammoniumjodidtetra butyl ammonium iodideN,N,N-Tributyl-1-butanaminium iodideC16H36INtetrabutyl-ammonium iodide

Database identifiers

CAS: 311-28-4
PubChem CID: 67553
ChEMBL: CHEMBL1079248
UNII: 6M53DT4JNG
EC Number: 206-220-5

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 12
Heavy atoms: 18
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

Density1.2 @25 °C

Physical DescriptionWhite hygroscopic crystals; [Sigma-Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (75.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (62.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (62.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (25.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 409 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Butanaminium, N,N,N-tributyl-, iodide

Status: Cease Manufacture Update: 06-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19231；Status: Active Update: 23-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32831

1-Butanaminium, N,N,N-tributyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (88.8%)；Eye Dam. 1 (75.3%)；Eye Irrit. 2A (62.1%)；STOT SE 3 (62.3%)；Aquatic Chronic 2 (25.4%)

Safety & protection

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)

Protective Action Criteria (PAC) · 3 items

6.0 [mg/m3]

66 [mg/m3]

390 [mg/m3]

Regulatory information

Regulatory Information · 3 items

Chemical: 1-Butanaminium, N,N,N-tributyl-, iodide

1-Butanaminium, N,N,N-tributyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.