propyl carbonochloridate, 95%

Name: propyl carbonochloridate
Brand: Chempure

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CAS Number

109-61-5

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IUPAC name	propyl carbonochloridate
inchi	InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3
inchi key	QQKDTTWZXHEGAQ-UHFFFAOYSA-N
molecular formula	C4H7ClO2
synonyms	Propyl chloroformate 109-61-5 Propyl chlorocarbonate propyl carbonochloridate N-PROPYL CHLOROFORMATE
Compound Description	N-propyl chloroformate appears as a colorless liquid. May be decomposed by water. Severely irritates skin and eyes. Very toxic by ingestion, inhalation or skin absorption. Denser than water and vapors heavier than air. Flash point 50 °F. Used to make other chemicals.

Computed Properties

Molecular Weight:	122.55 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	122.0134572 g/mol
Monoisotopic Mass:	122.0134572 g/mol
Topological Polar Surface Area:	26.3 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	62.7
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
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Acute Tox. 4 (98.2%) Skin Corr. 1B (100%) Eye Dam. 1 (53.3%) Acute Tox. 2 (53.3%) Acute Tox. 3 (46.7%) Flammable liquid - category 2 Acute toxicity - category 3 Skin corrosion - category 1B Flammable liquids - Category 3 Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Vapours) - Category 2 Skin corrosion/irritation - Category 1A-1C Serious eye damage/eye irritation - Category 1 Specific target organ toxicity - Single exposure - Category 2 (respiratory system) Skin corrosion/irritation - Category 1B Specific target organ toxicity - Single exposure - Category 1 (respiratory organs) Hazardous to the aquatic environment (Acute) - Category 2 Hazardous to the aquatic environment (Long-term) - Category 2 Flammable - 3rd degree Flam. Liq. 2 Acute Tox. 3 * Skin Corr. 1B
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (53.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	propyl carbonochloridate
inchi	InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3
inchi key	QQKDTTWZXHEGAQ-UHFFFAOYSA-N
molecular formula	C4H7ClO2
synonyms	Propyl chloroformate 109-61-5 Propyl chlorocarbonate propyl carbonochloridate N-PROPYL CHLOROFORMATE
Compound Description	N-propyl chloroformate appears as a colorless liquid. May be decomposed by water. Severely irritates skin and eyes. Very toxic by ingestion, inhalation or skin absorption. Denser than water and vapors heavier than air. Flash point 50 °F. Used to make other chemicals.

Computed Properties

Molecular Weight:	122.55 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	122.0134572 g/mol
Monoisotopic Mass:	122.0134572 g/mol
Topological Polar Surface Area:	26.3 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	62.7
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
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Acute Tox. 4 (98.2%) Skin Corr. 1B (100%) Eye Dam. 1 (53.3%) Acute Tox. 2 (53.3%) Acute Tox. 3 (46.7%) Flammable liquid - category 2 Acute toxicity - category 3 Skin corrosion - category 1B Flammable liquids - Category 3 Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Vapours) - Category 2 Skin corrosion/irritation - Category 1A-1C Serious eye damage/eye irritation - Category 1 Specific target organ toxicity - Single exposure - Category 2 (respiratory system) Skin corrosion/irritation - Category 1B Specific target organ toxicity - Single exposure - Category 1 (respiratory organs) Hazardous to the aquatic environment (Acute) - Category 2 Hazardous to the aquatic environment (Long-term) - Category 2 Flammable - 3rd degree Flam. Liq. 2 Acute Tox. 3 * Skin Corr. 1B
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (53.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Product No: AZ5699

propyl carbonochloridate, 95%

Product No: AZ5699

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AZ5699

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?