Basic information
- Standard SMILES
ClC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
JBWKIWSBJXDJDT-UHFFFAOYSA-N- Molecular formula
- C19H15Cl
- Average molar mass
- 278.8 g/mol
- Monoisotopic mass
- 278.0862282
Names & identifiers
- Preferred name
- Trityl chloride
- IUPAC
- [chloro(diphenyl)methyl]benzene
- English name
- Triphenylmethyl Chloride
- Molecular formula
- C19H15Cl
- Molecular weight
- 278.78
Names & synonyms
Trityl chloride76-83-5TriphenylchloromethaneCHLOROTRIPHENYLMETHANEMethane, chlorotriphenyl-triphenylmethylchlorideBenzene, 1,1',1''-(chloromethylidyne)tris-DTXSID30525111,1',1''-(Chloromethylidyne)trisbenzene1D9GZ8QQXNNSC-435DTXCID7031084
Show more names
TRT-CLTRITY CHLORIDETRIPHENYLCHLORMETHANEchlorotriphenyl-methanNSC 435
RefChem:575983200-986-4Triphenylmethyl chloride(chloromethanetriyl)tribenzene(chlorodiphenylmethyl)benzeneTrityl Chloride Resin[Chloro(diphenyl)methyl]benzeneC19H15Cl
Database identifiers
- CAS
76-83-5- PubChem CID
- 6456
- DTXSID
DTXSID3052511- ChEMBL
CHEMBL261393- UNII
- 1D9GZ8QQXN
- EC Number
- 200-986-4
- Nikkaji
- J62.557D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Color/FormNEEDLES OR PRISMS FROM BENZENE OR PETROLEUM ETHER
SolubilityINSOL IN WATER, SLIGHTLY SOL IN ALCOHOL, SOL IN ACETONE; VERY SOL IN ETHER, BENZENE, CHLOROFORM, CARBON DISULFIDE, CARBON TETRACHLORIDE
Boiling Point310 °C @ 760 MM HG
Melting Point113-114 °C
Vapor Pressure0.00000387 [mmHg]
Physical DescriptionSolid; [HSDB] Off-white powder with a pungent odor; Hydrolyzed with water; [MSDSonline]
Collision Cross Section162.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3052511]
Other Experimental PropertiesDECOMP IN HOT WATER & ALCOHOL
Physicochemical properties
- Melting point
- 109 · 109-112 °C(lit.)
- Boiling point
- 230 · 230-235 °C20 mm Hg(lit.)
- Density
- 1.1088 · 1.1088 (rough estimate)
- refractive index
- 1.6281 · 1.6281 (estimate)
- Flash point
- 230 · 230-235°C/20mm
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.1 g/mL, · chloroform: 0.1 g/mL, clear
- form
- Powder or Crystals
- color
- White to off-white or light yellow-beige
- Water Solubility
- Insoluble in water. Soluble in chloroform, hexane, benzene, ether, acetone and tetrahydrofuran.
- Sensitive
- Lachrymatory
- BRN
- 397363 · 397363
- InChI
- 1S/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChIKey
- JBWKIWSBJXDJDT-UHFFFAOYSA-N
- SMILES
- ClC(c1ccccc1)(c2ccccc2)c3ccccc3
- CAS DataBase Reference
- 76 · 76-83-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 D9GZ8QQXN · 1D9GZ8QQXN
- NIST Chemistry Reference
- Triphenylmethyl chloride(76-83-5)
- EPA Substance Registry System
- Chlorotriphenylmethane (76-83-5)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,N
- Risk Statements
- 34 · 34-50/53-14-36/37
- Safety Statements
- 26 · 26-36/37/39-45-61-27
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 6450000 · PA6450000
- F
- 10 · 10-19-21
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29036990 · 29036990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Hazardous Substances Data
- 76 · 76-83-5(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: > 5000 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (77.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (22.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (28.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (40.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (41.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (43.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 137 reports by companies from 13 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
Chemical: Benzene, 1,1',1''-(chloromethylidyne)tris-
Status: Active Update: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18906
Chlorotriphenylmethane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (77.4%)；Skin Irrit. 2 (22.6%)；Eye Dam. 1 (28.5%)；STOT SE 3 (40.9%)；Aquatic Acute 1 (41.6%)；Aquatic Chronic 1 (43.1%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Non-Human Toxicity Excerpts
POTENCY OF TRIPHENYL DERIV OF GROUP IV ELEMENTS IN INHIBITING GROWTH OF 1ST & 4TH INSTAR T CASTANEUM LARVAE WAS MUCH GREATER FOR PH3SNCL & PH3PBCL THAN FOR PH3CCL. IN HIGH CONCN PH3CCL WAS INACTIVE IN INHIBITING IN VITRO INVERTASE, AMYLASE & PROTEASE ACTIVITIES.
Regulatory information
Regulatory Information
Chemical: Benzene, 1,1',1''-(chloromethylidyne)tris-
Status: Active Update: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18906
Chlorotriphenylmethane: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 10-19-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PA6450000
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29036990
- Toxicity
- LD50 orally in Rabbit: > 5000 mg/kg
- risk_code
- 34-50/53-14-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,N
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-61-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- Hazardous Substances Data
- 76-83-5(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Benzene, 1,1',1''-(chloromethylidyne)tris-: ACTIVE
TRIARYL CHLOROALKANE IMPROVED ADHESION OF FAST-SETTING POLYURETHANE PREPOLYMER TO TISSUE.
Applications
UsesTrityl Chloride is an alkyl halide commonly used in organic synthesis to introduce the trityl protecting group. Trityl Chloride is used in the preparation of S-trityl-L-cysteine (STLC), a tight-bindin g inhibitor of Eg5 that prevents mitotic progression.
Preparation methods
PreparationTriphenylmethyl Chloride may be prepared by the reaction of triphenylmethanol with acetyl chloride, or by the Friedel–Crafts alkylation of benzene with carbon tetrachloride to give the trityl chloride-aluminium chloride adduct, which is then hydrolyzed.
Upstream & downstream products
Upstream raw materials
Downstream products
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