CAS 7306-46-9 Veratryl chloride (HCID 81740)

Names & identifiers

Preferred name: Veratryl chloride
IUPAC: 4-(chloromethyl)-1,2-dimethoxybenzene
English name: 3,4-Dimethoxybenzyl chloride
Molecular formula: C9H11ClO2
Molecular weight: 186.64

Names & synonyms

7306-46-94-(Chloromethyl)-1,2-dimethoxybenzeneVeratryl chlorideBenzene, 4-(chloromethyl)-1,2-dimethoxy-4-(Chloromethyl)-1,2-dimethoxy benzene98LR9N3ETZDTXSID00223338RefChem:97394DTXCID00145829230-756-93,4-Dimethoxybenzyl chloride3,4-Dimethoxybenzylchloride

Show more names

DMBClVeratveratrylchloridveratrylchlorideVerapamil Impurity 24Verapamil Impurity 27

MFCD00185554alpha-Chloro-3,4-dimethoxytoluene4-(chloromethyl)-1,2-dimethoxy-benzeneVeratryl chloridVeratryl chlorid [German]3,4-Bis(methoxy)-benzyl chlorideEINECS 230-756-9BRN 0973727

Database identifiers

CAS: 7306-46-9
PubChem CID: 81740
DTXSID: DTXSID00223338
UNII: 98LR9N3ETZ
EC Number: 230-756-9
Nikkaji: J15.028B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 50 · 50-53 °C(lit.)
Boiling point: 266.98 °C · 266.98°C (rough estimate)
Density: 1.1631 · 1.1631 (rough estimate)
refractive index: 1.508 · 1.5080 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to light yellow Solid
InChI: InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3
InChIKey: WWHJLVMBXXXUFO-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(CCl)C=C1OC
CAS DataBase Reference: 7306 · 7306-46-9(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H311-H331-H341
Precautionary statements: 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 1759 · UN 1759 8/PG 2
RTECS: 9060000 · XS9060000
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 (100%)；Skin Corr. 1B (66.7%)；Skin Sens. 1 (66.7%)；STOT SE 3 (66.7%)

Safety data

rtecs: XS9060000
ridadr: UN 1759 8/PG 2
hs_code: 2909309090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: C
safety_code: 26-36/37/39-45
Hazard statements: H301-H311-H331-H341
Precautionary statements: P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501