(2,6-Dichloro-3-nitrophenyl)methanol

HCID 2794914CAS 160647-01-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(CO)c1Cl
InChIKey
SBOJVVSPAOOEEB-UHFFFAOYSA-N
Molecular formula
C7H5Cl2NO3
Average molar mass
222.02 g/mol
Monoisotopic mass
220.96464838

Names & identifiers

Preferred name
(2,6-Dichloro-3-nitrophenyl)methanol
IUPAC
(2,6-dichloro-3-nitrophenyl)methanol
English name
(2,6-Dichloro-3-nitro)benzyl alcohol
Molecular formula
C7H5Cl2NO3
Molecular weight
222.03

Names & synonyms

(2,6-dichloro-3-nitrophenyl)methanol160647-01-8DTXSID10383492RefChem:205615DTXCID20334516897-637-72,6-Dichloro-3-nitrobenzyl alcohol(2,6-DICHLORO-3-NITRO)BENZYL ALCOHOLMFCD01566901(2,6-Dichloro-3-nitro-phenyl)-methanolBenzenemethanol, 2,6-dichloro-3-nitro-SCHEMBL6646572
Show more names
RARECHEM AL BD 09812,6-Dichloro-3-nitrobenzylalcohol97%BenzeneMethanol, 2,6-dichloro-3-nitro2,6-Dichloro-3-nitrobenzyl alcohol 97%(2,6-Dichloro-3-nitrophenyl)methanol ,98%(2,6-Dichloro-3-nitrophenyl)methanol, 2,4-Dichloro-3-(hydroxymethyl)nitrobenzene
SBOJVVSPAOOEEB-UHFFFAOYSA-NSBB096231AKOS015911530AB09225PS-4517(2,6-dichloro-3-nitro-phenyl)methanolAC-28585SY021635

Database identifiers

CAS
160647-01-8
PubChem CID
2794914
DTXSID
DTXSID10383492
EC Number
897-637-7

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
107 · 107-108
Boiling point
371.9 · 371.9±37.0 °C(Predicted)
Density
1.597 · 1.597±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
12.99 · 12.99±0.10(Predicted)
Appearance
Yellow to brown Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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

ridadr
2811
hs_code
29221990
risk_code
20/21/22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
T

Chemistry & industry

Upstream & downstream products

Suppliers50 total

宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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