4-(Benzyloxy)benzene-1-sulfonyl chloride

HCID 4738385

Notes Reactions

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Basic information

CAS: 87001-32-9
Standard SMILES: O=S(=O)(Cl)c1ccc(OCc2ccccc2)cc1
InChIKey: BRTDEKQMIKCPKH-UHFFFAOYSA-N
Molecular formula: C13H11ClO3S
Average molar mass: 282.74 g/mol
Monoisotopic mass: 282.01174289

Names & identifiers

Preferred name: 4-(Benzyloxy)benzene-1-sulfonyl chloride
IUPAC: 4-phenylmethoxybenzenesulfonyl chloride
English name: 4-(BENZYLOXY)BENZENE-1-SULFONYL CHLORIDE
Molecular formula: C13H11ClO3S
Molecular weight: 282.74

Names & synonyms

87001-32-94-(Benzyloxy)benzene-1-sulfonyl chlorideDTXSID80406203RefChem:288557DTXCID90357055820-368-34-(BENZYLOXY)BENZENESULFONYL CHLORIDE4-Benzyloxy-benzenesulfonyl chloride4-phenylmethoxybenzenesulfonyl ChlorideMFCD040355574-benzyloxybenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-(phenylmethoxy)-

Show more names

4-(benzyloxy)benzenesulfonylacylchloro4-(Benzyloxy)benzenesulfonyl chloride 98%4-(BENZYLOXY)BENZENE-1-SULFONYL CHLORIDE ISO 9001：2015 REACH

4-(Benzyloxy)benzenesulfonylChlorideSCHEMBL9262134-benzyloxyphenylsulfonyl chlorideBRTDEKQMIKCPKH-UHFFFAOYSA-N4-benzyloxybenzenesulphonyl chloride4-Benzyloxybenzene sulfonyl chloride4-benzyloxy benzene sulfonyl chloride4-Benzyloxybenzene sulphonyl chloride

Database identifiers

CAS: 87001-32-9
PubChem CID: 4738385
DTXSID: DTXSID80406203
EC Number: 108-824-3、820-368-3
Nikkaji: J2.583.386D

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 336

Physicochemical properties

Melting point: 0 °C · 0°C
Boiling point: 0 °C · 0°C
Flash point: 0 °C · 0°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
color: Brown pastey
InChI: InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: BRTDEKQMIKCPKH-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=C(OCC2=CC=CC=C2)C=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 310 · P310-P260
Risk Statements: 34 · 34-43
Safety Statements: 26 · 26-36/37/39-36/37
RIDADR: 3261 · 3261
WGK Germany: 3 · WGK 3
HS Code: 2904100090 · 2904100090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P333+P317, P337+P317, P362+P364, 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.

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Hazard information

Hazard Classes and Categories · 2 items

Met. Corr. 1 (50%)

Skin Sens. 1 (100%)

Safety data

wgk: WGK 3
ridadr: 3261
hs_code: 2904100090
risk_code: 34-43
Signal word: Danger
Symbol(GHS): GHS05,GHS07
safety_code: 26-36/37/39-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H314
Hazard Classifications: Eye Irrit. 2Skin Sens. 1
Precautionary statements: P310-P260

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers74 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

常州金和生物科技有限公司18796930758 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

62 records

New reaction record

HRID 1073As productuspto-grants-1998_03

HRID 29206As reactantuspto-grants-2008_09

HRID 29217As reactantuspto-grants-2008_09

HRID 116937As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 130432As reactantuspto-grants-2008_06

HRID 146374As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 151792As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 162617As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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