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Di-tert butyl dicarbonate(CAS No. 24424-99-5)

Di-tert butyl dicarbonate C10H18O5 (cas 24424-99-5) Molecular Structure

24424-99-5 Structure

Identification and Related Records

【Name】
Di-tert butyl dicarbonate
【Iupac name】
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
【CAS Registry number】
24424-99-5
【Synonyms】
Di-tert-butyl pyrocarbonate
di(tert-butyl) carbonate
di-t-Butyl-dicarbonate Dicarbonic acid, bis(1,1-dimethylethyl)ester
(t.-Boc)2O
DIBOC
Dibutyldicarbonate
BOC anhydride
BOC-20
Di-t-butyl pyrocarbonate
Di-tert butyl dicarbonate
Di-tert-butyl dicarbonate
Di-t-Butyl DICARBONATE
(BOC)2O
Di-tert-butyldicarbonate
Dicarbonic acid, C,C'-bis(1,1-dimethylethyl) ester
Dicarbonic acid, bis(1,1-dimethylethyl) ester
【EINECS(EC#)】
246-240-1
【Molecular Formula】
C10H18O5 (Products with the same molecular formula)
【Molecular Weight】
218.24692
【Inchi】
InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3
【InChIKey】
DYHSDKLCOJIUFX-UHFFFAOYSA-N
【Canonical SMILES】
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
【MOL File】
24424-99-5.mol

Chemical and Physical Properties

【Appearance】
white solid and/or colorless liquid
【Density】
0.949
【Melting Point】
22-24℃
【Boiling Point】
56-57℃ (0.5 torr)
【Vapour】
0.7mmHg at 25°C
【Refractive Index】
1.4075-1.4095
【Flash Point】
37℃
【Water】
insoluble
【Solubilities】
insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29209010
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:218.24692 [g/mol]
Molecular Formula:C10H18O5
XLogP3-AA:2.7
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:6
Exact Mass:218.115424
MonoIsotopic Mass:218.115424
Topological Polar Surface Area:61.8
Heavy Atom Count:15
Formal Charge:0
Complexity:218
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:11

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R10;R26;R36/37/38;R43
【Safety Statements 】
S16;S24;S37/39;S45
【HazardClass】
6.1
【Hazard Note】

Flammable/Irritant/Very Toxic

【Safety】

Hazard Codes:?VeryT+ ,?ToxicT ,?FlammableF,?IrritantXi?,?HighlyF+
Risk Statements 11-19-26-36/37/38-43-10?
R11: Highly flammable.?
R19: May form explosive peroxides.?
R26: Very toxic by inhalation.?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R43: May cause sensitization by skin contact.?
R10: Flammable.
Safety Statements 16-26-28-36/37-45-7/9-37/39-24-36/37/39-33?
S16: Keep away from sources of ignition.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37: Wear suitable protective clothing and gloves.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S37/39: Wear suitable gloves and eye/face protection.?
S24: Avoid contact with skin.?S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR UN 2929 6.1/PG 1
WGK Germany 3
RTECS HT0230000
F: 4.4-10-21
HazardClass: 6.1
PackingGroup: I

【PackingGroup 】
I
【Sensitive】
Moisture Sensitive
【Transport】
200kgs
【Specification】

1. First Aid Measures:
Ingestion: Do NOT induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation: Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. DO NOT use mouth-to-mouth respiration.
Skin: Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
2. Handling and Storage:
Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Refrigerator (approx 4 C).
Handling: Wash thoroughly after handling. Use only in a well ventilated area. Minimize dust generation and accumulation. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.

Supplier Location

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