Phenyl isothiocyanate

Modify Date: 2024-01-02 13:00:52

Phenyl isothiocyanate Structure
Phenyl isothiocyanate structure
Common Name Phenyl isothiocyanate
CAS Number 103-72-0 Molecular Weight 135.186
Density 1.0±0.1 g/cm3 Boiling Point 221.0±9.0 °C at 760 mmHg
Molecular Formula C7H5NS Melting Point −21 °C(lit.)
MSDS Chinese USA Flash Point 87.8±0.0 °C
Symbol GHS05 GHS06 GHS08
GHS05, GHS06, GHS08
Signal Word Danger

 Names

Name phenyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 221.0±9.0 °C at 760 mmHg
Melting Point −21 °C(lit.)
Molecular Formula C7H5NS
Molecular Weight 135.186
Flash Point 87.8±0.0 °C
Exact Mass 135.014267
PSA 44.45000
LogP 3.24
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.571
Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9275000
CHEMICAL NAME :
Isothiocyanic acid, phenyl ester
CAS REGISTRY NUMBER :
103-72-0
BEILSTEIN REFERENCE NO. :
0471392
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C7-H5-N-S
MOLECULAR WEIGHT :
135.19
WISWESSER LINE NOTATION :
SCNR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
87 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - urine volume increased
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
225 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
225 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :
Mammal - species unspecified
DOSE/DURATION :
800 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 300,111,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83829 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 166 (estimated)

 Safety Information

Symbol GHS05 GHS06 GHS08
GHS05, GHS06, GHS08
Signal Word Danger
Hazard Statements H301-H314-H317-H334
Precautionary Statements P261-P280-P301 + P310-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic;N:Dangerousfortheenvironment;
Risk Phrases R23/24/25;R34;R42/43;R63
Safety Phrases S9-S16-S29-S33-S60-S61-S62-S36-S26-S23-S45-S36/37/39
RIDADR UN 1993 3/PG 2
WGK Germany 3
RTECS NX9275000
Packaging Group II
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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 Synonyms

Thiocarbanil
isothiocyanic acid phenyl ester
UNII:0D58F84LSU
Benzene, isothiocyanato-
MFCD00004798
Edman Reagent
Isothiocyanatobenzene
Phenyl isothiocyanate
EINECS 203-138-1
benzenisothiocyanate
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