2,5-Dichlorobenzonitrile

HCID 89000
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Basic information

CAS
21663-61-6
Standard SMILES
N#Cc1cc(Cl)ccc1Cl
InChIKey
LNGWRTKJZCBXGT-UHFFFAOYSA-N
Molecular formula
C7H3Cl2N
Average molar mass
172.01 g/mol
Monoisotopic mass
170.9642545

Names & identifiers

Preferred name
2,5-Dichlorobenzonitrile
IUPAC
2,5-dichlorobenzonitrile
English name
2,5-Dichlorobenzonitrile
Molecular formula
C7H3Cl2N
Molecular weight
172.01

Names & synonyms

2,5-Dichlorobenzonitrile21663-61-6Benzonitrile, 2,5-dichloro-DTXSID70176049EINECS 244-518-7NSC 166361AI3-33405RefChem:82810DTXCID6098540244-518-7LNGWRTKJZCBXGT-UHFFFAOYSA-NMFCD00019741
Show more names
2,5-Dichlorobenzonit5-Dichlorobenzonitrile2,5-DICHLOROBENZOICACID2,5-DICHLOROBEMZONITRILE2,5-DICHLOROBENZONITRITE2,5-Dichlorobenzonitrile>2,5-Dichlorobenzonitrile,98%2,5-Dichlorobenzonitrile 98%
2,5-dichlorobenzenecarbonitrileNSC166361SCHEMBL104941SCHEMBL5843414BBL011046CK2138SBB063683AKOS005254736

Database identifiers

CAS
21663-61-6
PubChem CID
89000
DTXSID
DTXSID70176049
EC Number
244-518-7
Nikkaji
J195.892E

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
128 · 128-132 °C(lit.)
Boiling point
247.6 · 247.6±20.0 °C(Predicted)
Density
1.4 · 1.40±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (13%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Benzonitrile, 2,5-dichloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (15.2%)；Acute Tox. 4 (13%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10.9%)；STOT SE 3 (95.7%)

Regulatory information

Regulatory InformationChemical: Benzonitrile, 2,5-dichloro-

Safety data

wgk
3
ridadr
3439
hs_code
29269090
risk_code
36/37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS06,GHS07

Chemistry & industry

Applications

Uses2,5-Dichlorobenzonitrile is a novel pesticide intermediate, mainly used in the synthesis of anti-ulcer drugs. It also has applications in engineering plastics, electronic materials, and dyes.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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