Bansyl compound

HCID 191102

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Basic information

CAS: 43040-76-2
Standard SMILES: CCCCN(CCCC)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIKey: PIZHBGYIKYGXBV-UHFFFAOYSA-N
Molecular formula: C18H24ClNO2S
Average molar mass: 353.9 g/mol
Monoisotopic mass: 353.1216279

Names & identifiers

Preferred name: Bansyl compound
IUPAC: 5-(dibutylamino)naphthalene-1-sulfonyl chloride
English name: BANSYL CHLORIDE
Molecular formula: C18H24ClNO2S
Molecular weight: 353.91

Names & synonyms

43040-76-2Bansyl compoundDTXSID101956581-Naphthalenesulfonyl chloride, 5-(dibutylamino)-RefChem:116443DTXCID50118149Bansyl Chloride5-(Dibutylamino)naphthalene-1-sulfonyl Chloride5-Dibutylamino-naphthalene-1-sulfonyl chlorideMFCD00059134C18H24ClNO2SSCHEMBL4008678

Show more names

Bansyl Chloride (10% in Hexane)BANSYL CHLORIDE (10% IN N-HEXANE)1-(Dibutylamino)naphthalene-5-sulfonyl chloride5-(Dibutylamino)-1-naphthalenesulfonyl chloride1-(N,N-Dibutylamino)naphthalene-5-sulfonyl chloride5-(n,n-dibutylamino)naphthalene-1-sulfonyl chloride

SB83670SY050574DB-051015B0994B1122CS-04524615-(Dibutylamino)naphthalene-1-sulfonylChlorideF773818

Database identifiers

CAS: 43040-76-2
PubChem CID: 191102
DTXSID: DTXSID10195658
EC Number: 677-963-4
Nikkaji: J208.076A

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 440

Physicochemical properties

Boiling point: 449.2 · 449.2±25.0 °C(Predicted)
Density: 1.19 · 1.190±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
pka: 3.52 · 3.52±0.40(Predicted)
form: clear liquid to cloudy liquid
color: Light yellow to Brown
InChI: 1S/C18H24ClNO2S/c1-3-5-13-20(14-6-4-2)17-11-7-10-16-15(17)9-8-12-18(16)23(19,21)22/h7-12H,3-6,13-14H2,1-2H3
InChIKey: PIZHBGYIKYGXBV-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)c1cccc2c(cccc12)S(Cl)(=O)=O
CAS DataBase Reference: 43040 · 43040-76-2(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS02,GHS07,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H304-H314-H335-H336-H361-H372-H401-H290
Precautionary statements: 201 · P201-P202-P210-P233-P240-P241+P242+P243-P260-P264-P270-P271-P273-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P370+P378-P403+P233-P234-P390-P405-P406-P501
Hazard Codes: Xn
Risk Statements: 34 · 34-22
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
WGK Germany: 3 · WGK 3
HS Code: 2930.9 · 2930.90.2900
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazard Classes and CategoriesMet. Corr. 1 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1C (50%)；Eye Dam. 1 (50%)

Safety data

wgk: WGK 3
ridadr: 3261
hs_code: 2930.90.2900
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05,GHS02,GHS07,GHS08
hazard_code: Xn
safety_code: 26-36/37/39
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H225-H304-H314-H335-H336-H361-H372-H401-H290
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P201-P202-P210-P233-P240-P241+P242+P243-P260-P264-P270-P271-P273-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P370+P378-P403+P233-P234-P390-P405-P406-P501