CAS 40615-36-9 1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene) (HCID 96831)

Names & identifiers

Preferred name: 1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)
IUPAC: 1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
English name: 4,4'-Dimethoxytrityl chloride
Molecular formula: C21H19ClO2
Molecular weight: 338.83

Names & synonyms

1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-EINECS 255-002-61,1'-(chlorophenylmethylene)bis[4-methoxybenzene]DTXSID50193618Benzene, 1,1'-(chlorophenylmethylene)bis(4-methoxy-NSC 89782RefChem:409090DTXCID90116109255-002-64,4'-Dimethoxytrityl chloride40615-36-9

Show more names

DMTrCl4,4-DIMETHOXYTRITYL CHLORIDEDimeDimethoxy Trityl ChlorideDMTRT-CL4,4'-Dimethoxytrityl4,4' -dimethoxy triphenylchloromethane1-[chloro(4-Methoxyphenyl)benzyl]-4-Methoxybenzene

DMT-Cl4,4'-Dimethoxytriphenylmethyl chlorideMFCD00008409C21H19ClO24,4'-(chloro(phenyl)methylene)bis(methoxybenzene)1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene1-[chloro-(4-methoxyphenyl)-phenyl-methyl]-4-methoxy-benzene1-[chloro(4-methoxyphenyl)phenylmethyl]-4-methoxybenzene

Database identifiers

CAS: 40615-36-9
PubChem CID: 96831
DTXSID: DTXSID50193618
EC Number: 255-002-6
Nikkaji: J208.384A

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 340

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 123 · 123-125 °C
Boiling point: 455.07 °C · 455.07°C (rough estimate)
Density: 1.0887 · 1.0887 (rough estimate)
vapor pressure: 0 Pa · 0Pa at 20℃
refractive index: 1.533 · 1.5330 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Powder
color: Pink
Water Solubility: Soluble in chloroform and methanol. Partially soluble in water
Sensitive: Moisture Sensitive
BRN: 2471942 · 2471942
Stability: Hygroscopic, Moisture Sensitive
InChI: 1S/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3
InChIKey: JBWYRBLDOOOJEU-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(Cl)(c2ccccc2)c3ccc(OC)cc3
LogP: 5.74 at · 5.74 at 20℃
CAS DataBase Reference: 40615 · 40615-36-9(CAS DataBase Reference)
NIST Chemistry Reference: Methane, chlorobis(p-methoxyphenyl)phenyl-(40615-36-9)
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 314 · H314-H317-H335-H411
Precautionary statements: 260 · P260-P271-P273-P280-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-34
Safety Statements: 22 · 22-24/25-37/39-26-36-45-36/37/39
RIDADR: 3261 · 3261
WGK Germany: 3 · 3
F: 10 · 10-21
HS Code: 29093090 · 29093090
Storage Class: 8 B · 8B - Non-combustible corrosive hazardous materials
Hazard Classifications: 2 Eye · Aquatic Chronic 2Eye Dam. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
Toxicity: A hallucinogenic (psychedelic) agent that may catalyze the onset of emotional problems or psychosis in predisposed individuals. DMT is perhaps one of the least studied of the hallucinogens. It causes perceptual alterations and illusions, including changes in touch, taste, and odor. The thinking process is substantially altered; there are hallucinations and loss of contact with reality. There have been no overdose deaths attributed to the direct effects of DMT. The drug is very short-acting, with a duration of effect of about half an hour or less.
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (44.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-

Hazard Traits - Bioaccumulation; Environmental Persistence

Status: Active Update: 14-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24036

Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-: Human health tier I assessment

Hazard Classes and CategoriesSkin Corr. 1 (44.4%)

Safety data

F: 10-21
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
ridadr: 3261
hs_code: 29093090
Toxicity: A hallucinogenic (psychedelic) agent that may catalyze the onset of emotional problems or psychosis in predisposed individuals. DMT is perhaps one of the least studied of the hallucinogens. It causes perceptual alterations and illusions, including changes in touch, taste, and odor. The thinking process is substantially altered; there are hallucinations and loss of contact with reality. There have been no overdose deaths attributed to the direct effects of DMT. The drug is very short-acting, with a duration of effect of about half an hour or less.
risk_code: 36/37/38-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xi
safety_code: 22-24/25-37/39-26-36-45-36/37/39
Storage Class: 8B - Non-combustible corrosive hazardous materials
target organs: Respiratory system
Hazard statements: H314-H317-H335-H411
REACH Registrations: Active
Hazard Classifications: Aquatic Chronic 2Eye Dam. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
Precautionary statements: P260-P271-P273-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses4,4'-Dimethoxytrityl chloride is a versatile protecting group for primary alcohols, specially useful in oligonucleotide synthesis

Uses4,4'-Dimethoxytrityl chloride is used as a protective reagent for oligonucleotide synthesis. It is used for selective protection and deprotection procedures for thiol and hydroxy groups in nucleoside derivatives.

UsesHydroxyl protecting group for nucleosides and nucleotides.