CAS 13371-17-0 Phosphonium, butyltriphenyl-, chloride (1:1) (HCID 166797)

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Basic information

CAS: 13371-17-0
Standard SMILES: CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey: MFIUDWFSVDFDDY-UHFFFAOYSA-M
Molecular formula: C22H24ClP
Average molar mass: 354.8 g/mol
Monoisotopic mass: 354.13041508

Names & identifiers

Preferred name: Phosphonium, butyltriphenyl-, chloride (1:1)
IUPAC: butyl(triphenyl)phosphanium chloride
English name: Butyltriphenylphosphonium chloride
Molecular formula: C22H24ClP
Molecular weight: 354.85

Names & synonyms

13371-17-0Phosphonium, butyltriphenyl-, chlorideEINECS 236-443-3Phosphonium, butyltriphenyl-, chloride (1:1)DTXSID30884597RefChem:173614DTXCID101024030Butyltriphenylphosphonium chloridebutyl(triphenyl)phosphanium;chlorideMFCD00040546(1-Butyl)triphenylphosphonium chlorideD89162

Show more names

BTC[Ph3BP]Clbutyl(triphenyl)phosphaniumButyltriphenylphosphine chlorideButyltriphenylphosphoniumchloridbutyltriphenyl-phosphoniuchloride

butyl(triphenyl)phosphanium chlorideC22H24ClPtriphenylbutylphosphonium chlorideSCHEMBL159490butyl(triphenyl)phosphonium;chlorideButyltri(phenyl)phosphanium chlorideAKOS015915163DB-050387

Database identifiers

CAS: 13371-17-0
PubChem CID: 166797
DTXSID: DTXSID30884597
EC Number: 236-443-3

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 273

Physicochemical properties

Melting point: 226 · 226-230 °C(lit.)
Flash point: 270 °C · >270°C
storage temp.: 30 °C · Store below +30°C.
solubility: soluble in Methanol
form: solid
color: White to Light yellow
optical activity: 233.2 · 233.2-237.8℃°
Water Solubility: soluble
Sensitive: Hygroscopic
InChI: 1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
InChIKey: MFIUDWFSVDFDDY-UHFFFAOYSA-M
SMILES: [P+](CCCC)(c3ccccc3)(c2ccccc2)c1ccccc1.[Cl-]
CAS DataBase Reference: 13371 · 13371-17-0(CAS DataBase Reference)
EPA Substance Registry System: Phosphonium, butyltriphenyl-, chloride (13371-17-0)
UNSPSC Code: 12352107 · 12352107

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 370 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25932

Butyltriphenylphosphonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (40%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 2931 39 90
Toxicity: LD50 orally in Rabbit: 320 mg/kg
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
Hazard statements

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphonium, butyltriphenyl-, chloride (1:1): ACTIVE

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]

Related reactions

1 records

New reaction record

HRID 736959As reactantuspto-grants-2009_09

Compound notes

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