CAS 3638-04-8 2,4-Dichloro-6-methoxy-3,5-triazine (HCID 19267)

Names & identifiers

Preferred name: 2,4-Dichloro-6-methoxy-3,5-triazine
IUPAC: 2,4-dichloro-6-methoxy-1,3,5-triazine
English name: 2,4-Dichloro-6-methoxy-1,3,5-triazine
Molecular formula: C4H3Cl2N3O
Molecular weight: 179.99

Names & synonyms

2,4-Dichloro-6-methoxy-1,3,5-triazine3638-04-81,3,5-Triazine, 2,4-dichloro-6-methoxy-2,4-Dichloro-6-methoxy-3,5-triazineWG2YE7S694NSC-50574DTXSID60189906EINECS 222-863-4NSC 50574RefChem:82353DTXCID80112397MFCD00128159

Show more names

DCMTMETHOXYDICHLOROTRIAZINEDichloromethoxytriazineoro-6-methoxy-1,3,5-triazine4,6-Dichloro-2-methoxy-s-triazine2,4-DICHLORO-6-METHOXY-1,3,5-TRIAZINE, 9 5+%

C4H3Cl2N3O24-Dichloro-6-methoxy-135-triazine2-methoxy-4,6-dichloro-s-triazineNSC505742,6-dichloro-4-methoxy-1,3,5-triazine2-methoxy-4,6-dichloro-1,3,5-triazine2,4-DICHLORO-6-METHOXY-S-TRIAZINEUNII-WG2YE7S694

Database identifiers

CAS: 3638-04-8
PubChem CID: 19267
DTXSID: DTXSID60189906
UNII: WG2YE7S694
EC Number: 222-863-4
Nikkaji: J33.219D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 47.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 86 · 86-88 °C (lit.)
Boiling point: 132 · 132-134 °C/49 mmHg (lit.)
Density: 1.538 · 1.538±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.4 · -1.40±0.10(Predicted)
Appearance: White to off-white Solid
InChI: 1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYSA-N
SMILES: COc1nc(Cl)nc(Cl)n1
CAS DataBase Reference: 3638 · 3638-04-8(CAS DataBase Reference)
FDA UNII: 2 YE7S694 · WG2YE7S694
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 3335 · UN 3335
WGK Germany: 3 · 3
HS Code: 2933698090 · 2933698090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3335
hs_code: 2933698090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,4-Dichloro-6-methoxy-1,3,5-triazine was used as reagent in radioimmunoassay for D-Ala2-Dermorphin, a natural peptide extracted from amphibian skin. It was also used in the preparation of:α-cyclodextrin [2]-rotaxanessubstituted s-triazinesseries of chiral derivatizing reagents