Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)- (HCID 88198)

Names & identifiers

Preferred name: Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-
IUPAC: 1-tert-butyl-4-(chloromethyl)benzene
English name: 4-tert-Butylbenzyl chloride
Molecular formula: C11H15Cl
Molecular weight: 182.69

Names & synonyms

4-tert-Butylbenzyl chlorideBenzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-p-tert-Butyl-alpha-chlorotoluenep-(tert-Butyl)-alpha-chlorotolueneEINECS 243-228-8Benzene, 1-chloromethyl-4-(1,1-dimethylethyl)-RefChem:562385243-228-819692-45-61-(tert-butyl)-4-(chloromethyl)benzenep-tert-Butylbenzyl chloride1-tert-Butyl-4-(chloromethyl)benzene

Show more names

AKOS BBS-00003972Butenafine Impurity 2P-T-BUTYLBENZYL CHLORIDE4-t-Butylbenzyl chloridetert-Butyl Benzyl Chloride4-Chloromethyl-t-butylbenzene4-(tert-Butyl)-α-chlorotoluene

4-(tert-Butyl)benzyl chlorideMFCD000009181-(tert-Butyl)-4-(chloromethyl);benzenep-tert-Butyl-.alpha.-chlorotoluene4-(Tert-Butyl)benzylchloride4-(Tert-Butyl) Benzyl Chloride1-tert-butyl-4-chloromethylbenzene4-t-butylbenzylchloride

Database identifiers

CAS: 19692-45-6
PubChem CID: 88198
DTXSID: DTXSID7066516
EC Number: 243-228-8
Nikkaji: J31.719E

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: -18 °C · -18 °C
Boiling point: 101 · 101-105 °C7 mm Hg(lit.)
Density: 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.521(lit.)
Flash point: 202 °F · 202 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
color: Clear colorless to slightly yellow
Specific Gravity: 0.945 · 0.945
Water Solubility: Slightly soluble in water.
BRN: 471673 · 471673
InChI: 1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKey: WAXIFMGAKWIFDQ-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(CCl)cc1
CAS DataBase Reference: 19692 · 19692-45-6(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-(19692-45-6)
EPA Substance Registry System: p-tert-Butylbenzyl chloride (19692-45-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 21 · 21
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-: ACTIVE

Applications

Uses4-tert-Butylbenzyl chloride has been used to control molecular weight and prevent microgel formation during polymerization reaction.

Upstream & downstream products

Upstream raw materials

Downstream products

Lily aldehyde Pyridaben W.P.Pyridaben 4-tert-Butylphenylacetic acid 4-tert-Butyl-3-nitrobenzoic acid

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

42 records

New reaction record

HRID 34526As reactantuspto-grants-1988_08

HRID 99533As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 188654As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 247345As reactantuspto-grants-1987_11

HRID 295494As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 301372As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 305770As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 371522As reactantuspto-grants-1985_07

Linked notes

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Basic information