3-chlorobutanoic acid, 95%

Name: 3-chlorobutanoic acid
Brand: Chempure

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CAS Number

1951-12-8

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IUPAC name	3-chlorobutanoic acid
inchi	InChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
inchi key	XEEMVPPCXNTVNP-UHFFFAOYSA-N
molecular formula	C4H7ClO2
synonyms	3-CHLOROBUTYRIC ACID 3-Chlorobutanoic acid 1951-12-8 Butanoic acid, 3-chloro- Butyric acid, 3-chloro-

Computed Properties

Molecular Weight:	122.55 g/mol
XLogP3:	0.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	122.0134572 g/mol
Monoisotopic Mass:	122.0134572 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	72.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
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	Acute Tox. 4 (95.1%) Skin Irrit. 2 (95.1%) Eye Dam. 1 (97.6%) STOT SE 3 (95.1%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: BQ5683

3-chlorobutanoic acid, 95%

Product No: BQ5683

About this item

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Product No: BQ5683

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?