CAS 1609-86-5|2-isocyanato-2-methylpropane|2-Isocyanato-2-methylpropane|2-isocyanato-2-methylpropane|tert-Butyl isocyanate|tert-Butyl isocyanate|异氰酸叔丁酯|叔丁基异氰酸酯

Molecular Formula

C₅H₉NO

Molecular Mass

99.13106

Exact Mass

99.06841391

InChI

InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3

InChIKey

MGOLNIXAPIAKFM-UHFFFAOYSA-N

Canonic Smiles

O=C=NC(C)(C)C

Isomeric Smiles

N(=C=O)C(C)(C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.0113401

LogD (pH = 7.4)

1.0113401

Log P

1.0113401

Molar Refractivity

27.1438

Polarizability

10.442083

Polar Surface Area

29.43

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

62412

IUPAC Traditional name

2-isocyanato-2-methylpropane

Synonyms

2-Isocyanato-2-methylpropanetert-Butyl isocyanatetert-Butyl isocyanate异氰酸叔丁酯叔丁基异氰酸酯

IUPAC name

2-isocyanato-2-methylpropane

PubChem SID

Beilstein Number

CAS Number

MDL Number

Physical Property

Safety Information

Very Toxic/Flammable/Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon/Keep Cold

Moisture Sensitive

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Product Information

(CH3)3CN=C=O

97%

98%

No Data Available

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No Data Available

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Sigma Aldrich

144452

Packaging
5, 25, 100 g in glass bottle

No Data Available

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Academic Data

PubChem

62412

IUPAC Traditional name

2-isocyanato-2-methylpropane

Synonyms

2-Isocyanato-2-methylpropanetert-Butyl isocyanatetert-Butyl isocyanate异氰酸叔丁酯叔丁基异氰酸酯

IUPAC name

2-isocyanato-2-methylpropane

PubChem SID

Beilstein Number

CAS Number

MDL Number

144452

Packaging
5, 25, 100 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Very Toxic/Flammable/Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon/Keep Cold

Moisture Sensitive

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Product Information

(CH3)3CN=C=O

97%

98%

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

GHS Hazard statements

H225-H302-H314-H317-H330-H334-H335

H225-H301-H330-H315-H319-H335-H334

Supplemental Hazard Statements

Reacts violently with water.

Packing Group

GHS Signal Word

Danger

European Hazard Symbols

Highly toxic (T+)

Flammable (F)

Safety Statements

16-26-36/37/39-45

23-26-28-36/37-45

Hazard Class

6.1

RID/ADR

UN 2484 6.1/PG 1

Risk Statements

11-14-22-26-34-37-42

11-22-26-36/37/38-42

German water hazard class

UN Number

2484

UN2484

MSDS Link

Download link

Personal Protective Equipment

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Precautionary statements

P210-P260-P280-P284-P305+P351+P338-P310

P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A

TSCA Listed

是

Molecule

ID:89526