3,4-Dichlorobenzyl chloride

HCID 7609CAS 102-47-6

Basic information

Standard SMILES
ClCc1ccc(Cl)c(Cl)c1
InChIKey
YZIFVWOCPGPNHB-UHFFFAOYSA-N
Molecular formula
C7H5Cl3
Average molar mass
195.5 g/mol
Monoisotopic mass
193.945683

Names & identifiers

Preferred name
3,4-Dichlorobenzyl chloride
IUPAC
1,2-dichloro-4-(chloromethyl)benzene
English name
1,2-Dichloro-4-(chloromethyl)benzene
Molecular formula
C7H5Cl3
Molecular weight
195.47

Names & synonyms

3,4-Dichlorobenzyl chloride102-47-61,2-DICHLORO-4-(CHLOROMETHYL)BENZENEBenzene, 1,2-dichloro-4-(chloromethyl)-alpha,3,4-Trichlorotoluene.alpha.,3,4-Trichlorotoluene3,4-Dichlorophenylmethyl chlorideToluene, .alpha.,3,4-trichloro-UNII-451PB8SMIE451PB8SMIEEINECS 203-033-03,4-dichloro-1-(chloromethyl)benzene
Show more names
3,4-DCBCAKOS BBS-000039553,4-Dichlorobenzyl3,4,Α-Trichlorotolue3,4-Dichlorobenzyl CA,3,4-TRICHLOROTOLUENE3,4,α-Trichlorotolueneà,3,4-trichlorotolueneClofazimine Impurity 10
NSC 406893NSC-406893AI3-14887DTXSID9059252Toluene, alpha,3,4-trichloro-3,4,.ALPHA.-TRICHLOROTOLUENEBenzene, 3,4-dichloro-1-chloromethyl4-CHLOROMETHYL-1,2-DICHLOROBENZENE

Database identifiers

CAS
102-47-6
PubChem CID
7609
DTXSID
DTXSID9059252
UNII
451PB8SMIE
EC Number
203-033-0
Nikkaji
J91.328F

Properties

Computed structural properties

XLogP
4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index1355.8;1353.6

Physicochemical properties

Melting point
-3 °C · -3 °C
Boiling point
122 · 122-124 °C14 mm Hg(lit.)
Density
1.411 g/mL · 1.411 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.577(lit.)
Flash point
155 °C · 155 °C
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 51 reports by companies from 9 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

Regulatory Information · 2 items

Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-

Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (94.1%);STOT SE 3 (88.2%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-

Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

F
19
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29036990

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,2-dichloro-4-(chloromethyl)-: ACTIVE
Applications · 1 item

Uses3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]

Related reactions

174 records

Linked notes

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