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3-Chlorobenzaldehyde

3-Chlorobenzaldehyde structure

CAS No:
587-04-2
Formula:
C7H5ClO
Chemical Name:
3-Chlorobenzaldehyde
Synonyms:
Benzaldehyde,3-chloro-;Benzaldehyde,m-chloro-;3-Chlorobenzaldehyde;m-Chlorobenzaldehyde;m-Chlorobenzenecarboxaldehyde;NSC 60107;3-Chlorophenylcarboxaldehyde
Categories:
Pharmaceutical Intermediates > Genitourinary Agents

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Description

clear colourless to light yellow liquid

3-Chlorobenzaldehyde Basic Attributes

Molecular Weight：

140.566

Exact Mass：

140.57

EC Number：

209-596-9

UNII：

QPX6TA6X3R

NSC Number：

60107

DSSTox ID：

DTXSID1074591

HScode：

29130000

Characteristics

PSA：

17.1

XLogP3：

2.4

Appearance：

clear very light yellow liquid

Density：

1.2±0.1 g/cm3

Melting Point：

17.5 °C

Boiling Point：

213.5 °C

Flash Point：

85.4±11.0 °C

Refractive Index：

1.585

Water Solubility：

H2O: insoluble

Storage Conditions：

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.

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 80 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Chlorobenzaldehyde Use and Manufacturing

Manufacturing Info：

Benzaldehyde, 3-chloro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:140.56
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:140.0028925
Monoisotopic Mass:140.0028925
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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