Benzene, 1,4-dichloro-2-isocyanato-

HCID 79360CAS 5392-82-5

Basic information

Standard SMILES
O=C=Nc1cc(Cl)ccc1Cl
InChIKey
PEQMJVGRHNZPAM-UHFFFAOYSA-N
Molecular formula
C7H3Cl2NO
Average molar mass
188.01 g/mol
Monoisotopic mass
186.9591691

Names & identifiers

Preferred name
Benzene, 1,4-dichloro-2-isocyanato-
IUPAC
1,4-dichloro-2-isocyanatobenzene
English name
2,5-DICHLOROPHENYL ISOCYANATE
Molecular formula
C7H3Cl2NO
Molecular weight
188.01

Names & synonyms

2,5-Dichlorophenyl isocyanate5392-82-5Benzene, 1,4-dichloro-2-isocyanato-Isocyanic acid, 2,5-dichlorophenyl esterNSC 6302EINECS 226-396-7DTXSID4063826RefChem:562327DTXCID3041538226-396-71,4-Dichloro-2-isocyanatobenzene2,5-Dichlorophenylisocyanate
Show more names
2,5-Dichlorophenyl2,5-DICHLOROPHENYL CARBIMIDE1,4-dichloro-2-phenylisocyanate1,4-dichloro-2-isocyanato-benzen2,5-Dichlorophenylisocyanate-97%2,5-Dichlorophenyl Isocyanate >2,5-Dichlorophenyl isocyanate 97%
MFCD00002002NSC-6302Isocyanic Acid 2,5-Dichlorophenyl Esterdcpi2,5-dichlorobenzenisocyanateBMH358YGW4SCHEMBL785906SCHEMBL29507682

Database identifiers

CAS
5392-82-5
PubChem CID
79360
DTXSID
DTXSID4063826
UNII
BMH358YGW4
EC Number
226-396-7
Nikkaji
J150.843A

Properties

Computed structural properties

XLogP
4
Topological polar surface area
29.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
28 · 28-30°C
Boiling point
120 · 120-122°C 20mm
Density
1.3256 · 1.3256 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
Flash point
110 °C · >110°C
storage temp.
0 · 0-10°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (86.7%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (13.3%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (86.7%): Toxic if inhaled [Danger Acute toxicity, inhalation];H334 (97.8%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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 (97.8%);Acute Tox. 3 (86.7%);Skin Irrit. 2 (100%);Skin Sens. 1 (86.7%);Eye Irrit. 2 (100%);Acute Tox. 2 (13.3%);Acute Tox. 3 (86.7%);Resp. Sens. 1 (97.8%);STOT SE 3 (100%)

Safety data

tsca
TSCA listed
ridadr
2250
hs_code
2929100090
risk_code
23/25-36/37/38-42-42/43-23/24/25
Signal word
Danger
Symbol(GHS)
GHS06,GHS07,GHS08

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,4-dichloro-2-isocyanato-: INACTIVE

Suppliers41 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]

Related reactions

5 records

Linked notes

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