2,4,6-Trichlorobenzonitrile

HCID 522179

Basic information

CAS
6575-05-9
Standard SMILES
N#Cc1c(Cl)cc(Cl)cc1Cl
InChIKey
PGODHCIOIPODFE-UHFFFAOYSA-N
Molecular formula
C7H2Cl3N
Average molar mass
206.5 g/mol
Monoisotopic mass
204.925282

Names & identifiers

Preferred name
2,4,6-Trichlorobenzonitrile
IUPAC
2,4,6-trichlorobenzonitrile
English name
2,4,6-Trichlorobenzonitrile
Molecular formula
C7H2Cl3N
Molecular weight
206.46

Names & synonyms

2,4,6-Trichlorobenzonitrile6575-05-9PGODHCIOIPODFE-UHFFFAOYSA-DTXSID60334873RefChem:82096DTXCID10285962672-599-2InChI=1/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2HPGODHCIOIPODFE-UHFFFAOYSA-NBenzonitrile, 2,4,6-trichloro-MFCD00052711C7H2Cl3N
Show more names
2,4,6-trichlorohydrinBenzonitrile,2,4,6-trichloro-2,4,6-Trichlorobenzonitrile, 97+%
2,4,6-trichlorobenzenecarbonitrileSCHEMBL952362SBB055316AKOS015850362AC-4103CS-W015302FT70460DS-18144

Database identifiers

CAS
6575-05-9
PubChem CID
522179
DTXSID
DTXSID60334873
EC Number
672-599-2
Nikkaji
J209.056B

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
80 · 80-82°C
Boiling point
303.1 · 303.1±37.0 °C(Predicted)
Density
1.54 · 1.54±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Toluene
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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

Hazard Classes and CategoriesAcute Tox. 3 (16.7%);Acute Tox. 3 (16.7%);Skin Irrit. 2 (83.3%);Eye Irrit. 2 (83.3%);Acute Tox. 3 (16.7%);STOT SE 3 (83.3%)

Safety data

ridadr
3276
hs_code
2926.90.1200
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS06
hazard_code
Xi

Chemistry & industry

Applications

Uses2,4,6-Trichlorobenzonitrile is used as crystal synthesis intermediates.

Suppliers97 total

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]
韶远科技(上海)有限公司021-50795510 4000665055 · [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]

Related reactions

4 records

Compound notes

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