5-Nitrosalicylaldehyde

HCID 66808CAS 76700-97-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cc([N+](=O)[O-])ccc1O
InChIKey
IHFRMUGEILMHNU-UHFFFAOYSA-N
Molecular formula
C7H5NO4
Average molar mass
167.12 g/mol
Monoisotopic mass
167.02185764

Names & identifiers

Preferred name
5-Nitrosalicylaldehyde
IUPAC
2-hydroxy-5-nitrobenzaldehyde
English name
5-Nitrosalicylaldehyde
Molecular formula
C7H5NO4
Molecular weight
167.12

Names & synonyms

2-Hydroxy-5-nitrobenzaldehyde5-Nitrosalicylaldehyde97-51-8Benzaldehyde, 2-hydroxy-5-nitro-ZJ6GGT3K66NSC-881DTXSID6059154NSC-97387RefChem:103278DTXCID0049024202-587-0885-772-4
Show more names
2-Hydroxy5-Nitrobenzaldehyae(5-nitrosalicylaldehyde)5NSA5-Nitrosalicyladehyde2-hydroxy-5-nitro-benzaldehyd997-51-8AKOS 90780TIMTEC-BB SBB0038855-NITROSALICALDEHYDE
Salicylaldehyde, 5-nitro-MFCD000073375-Nitrososalicylaldehyde2-Hydroxy-5-nitro-benzaldehyde5-nitro salicylaldehydeSCHEMBL792985-nitro-2-hydroxybenzaldehydeBDBM111008

Database identifiers

CAS
76700-97-5、97-51-8
PubChem CID
66808
DTXSID
DTXSID6059154
ChEMBL
CHEMBL3660344
UNII
ZJ6GGT3K66
EC Number
202-587-0、885-772-4
Nikkaji
J60.297C

Properties

Computed structural properties

XLogP
2
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
125 · 125-128 °C(lit.)
Boiling point
295.67 °C · 295.67°C (rough estimate)
Density
1.5216 · 1.5216 (rough estimate)
refractive index
1.628 · 1.6280 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform, Water (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (32.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzaldehyde, 2-hydroxy-5-nitro-

Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24705

2-Hydroxy-5-nitrobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (32.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
CU6675000
hs_code
29130000
risk_code
36/38-36/37/38-22

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2-hydroxy-5-nitro-: ACTIVE
Applications · 3 items

Uses5-Nitrosalicylaldehyde is used in the synthetic preparation of coumarin (C755380), an pharmaceutic aid that is found in tonka beans, lavender oil, woodruff, sweet clover.

Uses2-Hydroxy-5-nitrobenzaldehyde is used in the synthetic preparation of coumarin (C755380), an pharmaceutic aid that is found in tonka beans, lavender oil, woodruff, sweet clover.

General DescriptionThe interaction of 2-hydroxy-5-nitrobenzaldehyde and chlorogenic acid (CHL) with the components of the rat hepatic glucose 6-phosphatase system was studied.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

77 records
New reaction record

Linked notes

Loading…