2-Amino-1-(3-chlorophenyl)ethan-1-ol

HCID 3751601
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Basic information

CAS
53360-89-7
Standard SMILES
NCC(O)c1cccc(Cl)c1
InChIKey
STJIXOUDTUPEEL-UHFFFAOYSA-N
Molecular formula
C8H10ClNO
Average molar mass
171.62 g/mol
Monoisotopic mass
171.04509162

Names & identifiers

Preferred name
2-Amino-1-(3-chlorophenyl)ethan-1-ol
IUPAC
2-amino-1-(3-chlorophenyl)ethanol
English name
2-Amino-1-(3-chlorophenyl)-1-ethanol
Molecular formula
C8H10ClNO
Molecular weight
171.62

Names & synonyms

53360-89-72-amino-1-(3-chlorophenyl)ethan-1-olRefChem:463064994-951-72-amino-1-(3-chlorophenyl)ethanol2-Amino-1-(3-chlorophenyl)-1-ethanolMFCD03428529alpha-(Aminomethyl)-3-chlorobenzenemethanolBENZENEMETHANOL,|A-(AMINOMETHYL)-3-CHLORO-SCHEMBL768162SCHEMBL8422851CHEMBL3246817
Show more names
(1R)-2-amino -1-(3-chlorophenyl) ethanol(R)-(-)-2-AMINO-1-(4-CHLOROPHENYL)ETHANOLBENZENEMETHANOL, α-(AMINOMETHYL)-3-CHLORO-
STJIXOUDTUPEEL-UHFFFAOYSA-NDTXSID0013808452-amino-1-(m-chlorophenyl)ethanolDCA360892-amino-1-(3-chloro-phenyl)-ethanol2-hydroxy-2(3-chlorophenyl)ethanamineAKOS000124186AKOS016051293

Database identifiers

CAS
53360-89-7
PubChem CID
3751601
DTXSID
DTXSID001380845
ChEMBL
CHEMBL3246817
EC Number
994-951-7
Nikkaji
J532.118B

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
319.8 · 319.8±27.0 °C(Predicted)
Density
1.26 · 1.260±0.06 g/cm3(Predicted)
storage temp.
Store at Room Tem.
pka
11.77 · 11.77±0.35(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Upstream & downstream products

Suppliers15 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

Related reactions

116 records
New reaction record

Compound notes

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