CAS 180200-86-6 1-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzene (HCID 2761083)

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Basic information

CAS: 180200-86-6
Standard SMILES: CS(=O)(=O)c1ccc(CBr)c(Cl)c1
InChIKey: FQVJALWTFNYNBL-UHFFFAOYSA-N
Molecular formula: C8H8BrClO2S
Average molar mass: 283.57 g/mol
Monoisotopic mass: 281.91169

Names & identifiers

Preferred name: 1-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzene
IUPAC: 1-(bromomethyl)-2-chloro-4-methylsulfonylbenzene
English name: 4-CHLORO-N-CYCLOPROPYL-N-PIPERIDIN-4-YLBENZENESULFONAMIDE
Molecular formula: C8H8BrClO2S
Molecular weight: 283.57

Names & synonyms

180200-86-61-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzeneDTXSID90375532RefChem:226186DTXCID50326560674-403-0MFCD040379591-(bromomethyl)-2-chloro-4-methylsulfonylbenzene2-chloro-4-(methylsulphonyl)benzyl bromideBenzene, 1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-1-(bromomethyl)-2-chloro-4-methanesulfonylbenzeneBenzene,1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-

Show more names

2-Chloro-4-(methylsulphonyl)benzyl bromide 95+%1-Bromomethyl-2-chloro-4-methanesulfonyl-benzene1-(Bromomethyl)-2-chloro-4-(methylsulphonyl)benzene, 4-(Bromomethyl)-3-chlorophenyl methyl sulphone

SCHEMBL399056FQVJALWTFNYNBL-UHFFFAOYSA-NSBB070939AKOS015836014PS-99362-chloro-4-methylsulfonylbenzyl bromide2-Chloro-4-(methylsulfonyl)benzyl bromideDB-024651

Database identifiers

CAS: 180200-86-6
PubChem CID

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 103 · 103-105
Boiling point: 408.8 · 408.8±45.0 °C(Predicted)
Density: 1.642 · 1.642±0.06 g/cm3(Predicted)
form: solid
color: Uniform white
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 315 · H315-H319-H372-H317-H334-H350
Precautionary statements: 501 · P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P304+P340-P333+P313-P405
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Safety data

hs_code: 2930909899
Signal word: Danger
Symbol(GHS): GHS08
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H319-H372-H317-H334-H350
Precautionary statements: P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P304+P340-P333+P313-P405